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

C9H10F5N — CID 145322978

IUPAC1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESC=C(C(F)(F)F)C(F)(F)N1CC=CCC1
InChIInChI=1S/C9H10F5N/c1-7(8(10,11)12)9(13,14)15-5-3-2-4-6-15/h2-3H,1,4-6H2
InChIKeyHGTXHDWKGYPABQ-UHFFFAOYSA-N
MW227.18 g/mol
LogP2.96
Rot. Bonds2

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

1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 145322978) has the molecular formula C9H10F5N and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
PubChem CID145322978
Molecular FormulaC9H10F5N
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESC=C(C(F)(F)F)C(F)(F)N1CC=CCC1
InChIInChI=1S/C9H10F5N/c1-7(8(10,11)12)9(13,14)15-5-3-2-4-6-15/h2-3H,1,4-6H2
InChIKeyHGTXHDWKGYPABQ-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.96
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'}

Analyze 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine (CID 145322978) is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine is C=C(C(F)(F)F)C(F)(F)N1CC=CCC1.
What is the InChIKey of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is HGTXHDWKGYPABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5N/c1-7(8(10,11)12)9(13,14)15-5-3-2-4-6-15/h2-3H,1,4-6H2.
What are the key properties of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine?
1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 227.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145322978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).