3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile

C15H16F4N2 — CID 121304822

IUPAC3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
SMILESN#CC(Cc1ccc(F)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F4N2/c16-13-3-1-11(2-4-13)9-14(10-20)21-7-5-12(6-8-21)15(17,18)19/h1-4,12,14H,5-9H2
InChIKeyOSQNDBOQBAZBTD-UHFFFAOYSA-N
MW300.30 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile

3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile (PubChem CID 121304822) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
PubChem CID121304822
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
SMILESN#CC(Cc1ccc(F)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H16F4N2/c16-13-3-1-11(2-4-13)9-14(10-20)21-7-5-12(6-8-21)15(17,18)19/h1-4,12,14H,5-9H2
InChIKeyOSQNDBOQBAZBTD-UHFFFAOYSA-N
XLogP3.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 82079287
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
3-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 45090363
2-amino-3-(4-fluorophenyl)propanenitrile
CID 45090820
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
2-(4-acetylpiperazin-1-yl)-3-phenylpropanenitrile
CID 82300086
[2-(4-fluorophenyl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283791
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
2,2-dichloro-3-(4-fluorophenyl)propanenitrile
CID 54200981
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile (CID 121304822) is 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile is N#CC(Cc1ccc(F)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The InChIKey is OSQNDBOQBAZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c16-13-3-1-11(2-4-13)9-14(10-20)21-7-5-12(6-8-21)15(17,18)19/h1-4,12,14H,5-9H2.
What are the key properties of 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile?
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile has a molecular weight of 300.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 121304822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).