3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole

C8H14FN — CID 117205468

IUPAC3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)N1CC=C(CF)C1
InChIInChI=1S/C8H14FN/c1-7(2)10-4-3-8(5-9)6-10/h3,7H,4-6H2,1-2H3
InChIKeyFKCQIRNHKQHEJP-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds2

About 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole

3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole (PubChem CID 117205468) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole
PubChem CID117205468
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)N1CC=C(CF)C1
InChIInChI=1S/C8H14FN/c1-7(2)10-4-3-8(5-9)6-10/h3,7H,4-6H2,1-2H3
InChIKeyFKCQIRNHKQHEJP-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
1-Methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
CID 123870416
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201
(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine
CID 166157567
(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine
CID 84820316
3-(Fluoromethyl)-1-methyl-2,5-dihydropyrrole
CID 117205462
1-Ethyl-3-(fluoromethyl)-2,5-dihydropyrrole
CID 117205465
(E)-2-(fluoromethyl)-N,N-dimethylbut-2-en-1-amine
CID 171096527
1,3-Dimethyl-2,5-dihydropyrrole
CID 15092989
N,3-dimethyl-N-propan-2-ylbut-2-en-1-amine
CID 18790266
3-Methyl-1-propan-2-yl-2,5-dihydropyrrole
CID 66908754

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole (CID 117205468) is 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole is CC(C)N1CC=C(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is FKCQIRNHKQHEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(2)10-4-3-8(5-9)6-10/h3,7H,4-6H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole?
3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 143.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 117205468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).