1-cyclopropyl-2,3-bis(trifluoromethyl)benzene

C11H8F6 — CID 175858113

IUPAC1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C11H8F6/c12-10(13,14)8-3-1-2-7(6-4-5-6)9(8)11(15,16)17/h1-3,6H,4-5H2
InChIKeyRGMUORWSTKFRJE-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.60
Rot. Bonds1

About 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene

1-cyclopropyl-2,3-bis(trifluoromethyl)benzene (PubChem CID 175858113) has the molecular formula C11H8F6 and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
PubChem CID175858113
Molecular FormulaC11H8F6
Molecular Weight254.17 g/mol
Exact Mass254.05
IUPAC Name1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C11H8F6/c12-10(13,14)8-3-1-2-7(6-4-5-6)9(8)11(15,16)17/h1-3,6H,4-5H2
InChIKeyRGMUORWSTKFRJE-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
6-(2-cyclopropylphenyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 162607435
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 155822751
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2,3-bis(trifluoromethyl)benzenethiol;hydrochloride;tetrahydrofluoride
CID 173469139

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene (CID 175858113) is 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene is FC(F)(F)c1cccc(C2CC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene?
The InChIKey is RGMUORWSTKFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6/c12-10(13,14)8-3-1-2-7(6-4-5-6)9(8)11(15,16)17/h1-3,6H,4-5H2.
What are the key properties of 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene?
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene has a molecular weight of 254.17 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 175858113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).