1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile

C11H10F3N — CID 159608211

IUPAC1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
SMILESC#N.FC(F)(F)c1cccc(C2CC2)c1
InChIInChI=1S/C10H9F3.CHN/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7;1-2/h1-3,6-7H,4-5H2;1H
InChIKeyMMIPPOXWLXUWQN-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.72
Rot. Bonds1

About 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile

1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile (PubChem CID 159608211) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
PubChem CID159608211
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
SMILESC#N.FC(F)(F)c1cccc(C2CC2)c1
InChIInChI=1S/C10H9F3.CHN/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7;1-2/h1-3,6-7H,4-5H2;1H
InChIKeyMMIPPOXWLXUWQN-UHFFFAOYSA-N
XLogP3.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1-(4-methylcyclohex-3-en-1-yl)-3-(trifluoromethyl)benzene
CID 150114340
1-tert-butyl-3-[(3-cyclopropylphenyl)-difluoromethyl]-2-fluorobenzene
CID 177124857
1-chloro-2-[3-(trifluoromethyl)phenyl]cycloheptane
CID 63510947
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 71698017
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile?
The IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile (CID 159608211) is 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile.
What is the SMILES notation for 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile?
The canonical SMILES for 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile is C#N.FC(F)(F)c1cccc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile?
The InChIKey is MMIPPOXWLXUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3.CHN/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7;1-2/h1-3,6-7H,4-5H2;1H.
What are the key properties of 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile?
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile has a molecular weight of 213.20 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile is sourced from PubChem (CID 159608211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).