1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine

C9H8F3N — CID 129140557

IUPAC1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1=CCN(C2=CC2)C=C1
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-3-5-13(6-4-7)8-1-2-8/h1,3-5H,2,6H2
InChIKeyCEZYUCJKNJLGSF-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.59
Rot. Bonds1

About 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine

1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine (PubChem CID 129140557) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine
PubChem CID129140557
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1=CCN(C2=CC2)C=C1
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-3-5-13(6-4-7)8-1-2-8/h1,3-5H,2,6H2
InChIKeyCEZYUCJKNJLGSF-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
9-(fluoromethyl)-4H-quinolizine
CID 88500987
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
1-Methyl-2-methylidene-4-(trifluoromethyl)pyridine
CID 145172787
1,2-dimethyl-3-(trifluoromethyl)-2H-pyridine
CID 145204886
3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
CID 145272368
1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
CID 145272392

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine (CID 129140557) is 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine is FC(F)(F)C1=CCN(C2=CC2)C=C1.
What is the InChIKey of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is CEZYUCJKNJLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-9(11,12)7-3-5-13(6-4-7)8-1-2-8/h1,3-5H,2,6H2.
What are the key properties of 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine?
1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 187.16 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropen-1-yl)-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 129140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).