2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine

C38H54F4N4 — CID 160899457

IUPAC2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine
SMILESC.CC(C)c1ccnc(C(C)F)c1.CC(C)c1ccnc(C(C)F)c1F.CC(C)c1ccnc(F)c1.Cc1cc(C(C)C)ccn1
InChIInChI=1S/C10H13F2N.C10H14FN.C9H13N.C8H10FN.CH4/c1-6(2)8-4-5-13-10(7(3)11)9(8)12;1-7(2)9-4-5-12-10(6-9)8(3)11;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;/h4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4
InChIKeySPHOWORWZJNUPP-UHFFFAOYSA-N
MW642.87 g/mol
LogP12.10
Rot. Bonds6

About 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine

2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine (PubChem CID 160899457) has the molecular formula C38H54F4N4 and a molecular weight of 642.87 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine
PubChem CID160899457
Molecular FormulaC38H54F4N4
Molecular Weight642.87 g/mol
Exact Mass642.43
IUPAC Name2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine
SMILESC.CC(C)c1ccnc(C(C)F)c1.CC(C)c1ccnc(C(C)F)c1F.CC(C)c1ccnc(F)c1.Cc1cc(C(C)C)ccn1
InChIInChI=1S/C10H13F2N.C10H14FN.C9H13N.C8H10FN.CH4/c1-6(2)8-4-5-13-10(7(3)11)9(8)12;1-7(2)9-4-5-12-10(6-9)8(3)11;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;/h4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4
InChIKeySPHOWORWZJNUPP-UHFFFAOYSA-N
XLogP12.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.87
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
CID 139525099
bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
CID 161345551
N,N-dimethyl-4-propan-2-ylpyridin-2-amine;3-fluoro-2-methyl-4-propan-2-ylpyridine
CID 176692961
1-(4-propan-2-yl-2-pyridinyl)ethanol
CID 45096260
2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
CID 170194877
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293
2-chloro-3-fluoro-4-propan-2-ylpyridine
CID 59849657
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine?
The IUPAC name of 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine (CID 160899457) is 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine is C.CC(C)c1ccnc(C(C)F)c1.CC(C)c1ccnc(C(C)F)c1F.CC(C)c1ccnc(F)c1.Cc1cc(C(C)C)ccn1.
What is the InChIKey of 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine?
The InChIKey is SPHOWORWZJNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N.C10H14FN.C9H13N.C8H10FN.CH4/c1-6(2)8-4-5-13-10(7(3)11)9(8)12;1-7(2)9-4-5-12-10(6-9)8(3)11;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;/h4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine?
2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine has a molecular weight of 642.87 g/mol, XLogP of 12.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 160899457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).