3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile

C10H7F4N — CID 53434405

IUPAC3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
SMILESN#CCCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h4-6H,1-2H2
InChIKeyGUWHHDKJAKHFQN-UHFFFAOYSA-N
MW217.16 g/mol
LogP3.30
Rot. Bonds2

About 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile

3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile (PubChem CID 53434405) has the molecular formula C10H7F4N and a molecular weight of 217.16 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
PubChem CID53434405
Molecular FormulaC10H7F4N
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
SMILESN#CCCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h4-6H,1-2H2
InChIKeyGUWHHDKJAKHFQN-UHFFFAOYSA-N
XLogP3.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
1-(2-azidoethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 151285096
3-[3,5-bis(trifluoromethylsulfanyl)phenyl]propanenitrile
CID 166641208
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
(Z)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]but-2-en-1-amine
CID 70986965
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
CID 162577330
[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
CID 115351227
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 115350662
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
CID 163513137
3-[4-(1,1-difluoroethyl)phenyl]propanenitrile
CID 116991828

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile (CID 53434405) is 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile is N#CCCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile?
The InChIKey is GUWHHDKJAKHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h4-6H,1-2H2.
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile?
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile has a molecular weight of 217.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile is sourced from PubChem (CID 53434405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).