1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine

C9H11F4N — CID 145322977

IUPAC1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESC=C(C(F)N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2
InChIKeyYZXMCERPSXYGCR-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.66
Rot. Bonds2

About 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine

1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 145322977) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
PubChem CID145322977
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESC=C(C(F)N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2
InChIKeyYZXMCERPSXYGCR-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetonitrile
CID 87995250
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
CID 130242890

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine (CID 145322977) is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine is C=C(C(F)N1CC=CCC1)C(F)(F)F.
What is the InChIKey of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is YZXMCERPSXYGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N/c1-7(9(11,12)13)8(10)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2.
What are the key properties of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 209.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145322977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).