1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene

C13H12ClF3 — CID 169432317

IUPAC1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@]1(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H12ClF3/c14-10-5-3-9(4-6-10)12(8-1-2-8)7-11(12)13(15,16)17/h3-6,8,11H,1-2,7H2/t11-,12-/m1/s1
InChIKeyYHWANMIQUFOLNG-VXGBXAGGSA-N
MW260.69 g/mol
LogP4.57
Rot. Bonds2

About 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene

1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 169432317) has the molecular formula C13H12ClF3 and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID169432317
Molecular FormulaC13H12ClF3
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@]1(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H12ClF3/c14-10-5-3-9(4-6-10)12(8-1-2-8)7-11(12)13(15,16)17/h3-6,8,11H,1-2,7H2/t11-,12-/m1/s1
InChIKeyYHWANMIQUFOLNG-VXGBXAGGSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,2R)-1-(4-chlorophenyl)-2-(trifluoromethyl)cyclopropane-1-carbonitrile
CID 102301462
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
[4-[(1S,2S)-1-(4-chlorophenyl)-2-(methoxymethyl)cyclopropyl]piperidin-1-yl]-methylborinic acid
CID 58793979
(4S)-6-chloro-4-cyclopropyl-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-2-ol
CID 162577114
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
1-(1-tert-butylcyclohexyl)-4-chlorobenzene
CID 59590193
5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 152545587
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
CID 115028533
1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine
CID 23292607
1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene (CID 169432317) is 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene is FC(F)(F)[C@@H]1C[C@]1(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is YHWANMIQUFOLNG-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H12ClF3/c14-10-5-3-9(4-6-10)12(8-1-2-8)7-11(12)13(15,16)17/h3-6,8,11H,1-2,7H2/t11-,12-/m1/s1.
What are the key properties of 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene?
1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 260.69 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 169432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).