5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine

C15H21F2N — CID 169245340

IUPAC5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
SMILESC=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C
InChIInChI=1S/C15H21F2N/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4/h7-11,15H,4-6H2,1-3H3/b13-9+
InChIKeyAYSJDEQVXBWOMP-UKTHLTGXSA-N
MW253.34 g/mol
LogP4.86
Rot. Bonds5

About 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine

5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine (PubChem CID 169245340) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
PubChem CID169245340
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine
SMILESC=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C
InChIInChI=1S/C15H21F2N/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4/h7-11,15H,4-6H2,1-3H3/b13-9+
InChIKeyAYSJDEQVXBWOMP-UKTHLTGXSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
CID 88578859
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
3-ethyl-N,N-dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 123532002
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine
CID 156544883
1-Methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157724293
Ethane;2-methylidene-5-propan-2-yl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
CID 166146543
1-ethyl-3-(2-fluoroethyl)-5-methyl-4-methylidene-2-[(Z)-prop-1-enyl]pyridine
CID 167018846
(3E)-N-ethenyl-3-fluoro-N,4,6-trimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 169948832
1-Methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 170097852

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The IUPAC name of 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine (CID 169245340) is 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The canonical SMILES for 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine is C=C1C=CC(C(F)F)=CN1/C=C(\CCC)C(C)C.
What is the InChIKey of 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
The InChIKey is AYSJDEQVXBWOMP-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H21F2N/c1-5-6-13(11(2)3)9-18-10-14(15(16)17)8-7-12(18)4/h7-11,15H,4-6H2,1-3H3/b13-9+.
What are the key properties of 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine?
5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine has a molecular weight of 253.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methylidene-1-[(E)-2-propan-2-ylpent-1-enyl]pyridine is sourced from PubChem (CID 169245340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).