1-cyclopropyl-3-(trifluoromethyl)benzene

C10H9F3 — CID 12509713

IUPAC1-cyclopropyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2CC2)c1
InChIInChI=1S/C10H9F3/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyKJSFTGFIIHDZSK-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.58
Rot. Bonds1

About 1-cyclopropyl-3-(trifluoromethyl)benzene

1-cyclopropyl-3-(trifluoromethyl)benzene (PubChem CID 12509713) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-3-(trifluoromethyl)benzene
PubChem CID12509713
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name1-cyclopropyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2CC2)c1
InChIInChI=1S/C10H9F3/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyKJSFTGFIIHDZSK-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
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-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
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)benzene (CID 12509713) is 1-cyclopropyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropyl-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(trifluoromethyl)benzene?
The InChIKey is KJSFTGFIIHDZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c11-10(12,13)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 1-cyclopropyl-3-(trifluoromethyl)benzene?
1-cyclopropyl-3-(trifluoromethyl)benzene has a molecular weight of 186.18 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 12509713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).