1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene

C11H11F3 — CID 102579240

IUPAC1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESCc1cccc([C@H]2C[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-7-3-2-4-8(5-7)9-6-10(9)11(12,13)14/h2-5,9-10H,6H2,1H3/t9-,10+/m1/s1
InChIKeyHEKIMMOSDGPMRQ-ZJUUUORDSA-N
MW200.20 g/mol
LogP3.66
Rot. Bonds1

About 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene

1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 102579240) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID102579240
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESCc1cccc([C@H]2C[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-7-3-2-4-8(5-7)9-6-10(9)11(12,13)14/h2-5,9-10H,6H2,1H3/t9-,10+/m1/s1
InChIKeyHEKIMMOSDGPMRQ-ZJUUUORDSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
CID 75985035
N-methyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 83694830
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
N-[2-(3-methylphenyl)cyclopropyl]formamide
CID 154132778
5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012096
4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline
CID 71669152
1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
CID 138569427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene (CID 102579240) is 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene is Cc1cccc([C@H]2C[C@@H]2C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is HEKIMMOSDGPMRQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H11F3/c1-7-3-2-4-8(5-7)9-6-10(9)11(12,13)14/h2-5,9-10H,6H2,1H3/t9-,10+/m1/s1.
What are the key properties of 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene?
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 200.20 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 102579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).