1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine

C10H12F7N — CID 129207800

IUPAC1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
SMILESC=C(C(F)N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H12F7N/c1-6(9(12,13)14)8(11)18-4-2-7(3-5-18)10(15,16)17/h7-8H,1-5H2
InChIKeyRVYVHMXYCZCDJC-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.67
Rot. Bonds2

About 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine

1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine (PubChem CID 129207800) has the molecular formula C10H12F7N and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
PubChem CID129207800
Molecular FormulaC10H12F7N
Molecular Weight279.20 g/mol
Exact Mass279.09
IUPAC Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
SMILESC=C(C(F)N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H12F7N/c1-6(9(12,13)14)8(11)18-4-2-7(3-5-18)10(15,16)17/h7-8H,1-5H2
InChIKeyRVYVHMXYCZCDJC-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.67
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-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine 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

4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207498
1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
CID 142488201
(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
CID 129298767
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine
CID 130418367
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
CID 169409815
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
1-piperidin-1-yl-4-(trifluoromethyl)piperidine
CID 149253301
(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 178030432
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine (CID 129207800) is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine is C=C(C(F)N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine?
The InChIKey is RVYVHMXYCZCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7N/c1-6(9(12,13)14)8(11)18-4-2-7(3-5-18)10(15,16)17/h7-8H,1-5H2.
What are the key properties of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine?
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine has a molecular weight of 279.20 g/mol, XLogP of 3.67, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 129207800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).