2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene

C11H10ClF3 — CID 67962907

IUPAC2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(C2CC2)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C11H10ClF3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13,14)15/h4-5,7H,2-3H2,1H3
InChIKeyIRFXJUOEIHERSJ-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.54
Rot. Bonds1

About 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene

2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene (PubChem CID 67962907) has the molecular formula C11H10ClF3 and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene
PubChem CID67962907
Molecular FormulaC11H10ClF3
Molecular Weight234.65 g/mol
Exact Mass234.04
IUPAC Name2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(C2CC2)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C11H10ClF3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13,14)15/h4-5,7H,2-3H2,1H3
InChIKeyIRFXJUOEIHERSJ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-5-cyclopropyl-2,3-dimethylbenzene
CID 59813088
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
CID 168837355
2-[4-chloro-3,5-bis(trifluoromethyl)phenyl]thietane
CID 173468975
N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 57423586
1-chloro-3-cyclopropylbenzene;2-chloro-1-cyclopropyl-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 143147778
4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 140930346
2-chloro-1-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 13489933
1,3,5-tricyclopropylbenzene
CID 13056331
1-chloro-3-cyclopropyl-5-methylbenzene
CID 90222242
[5-cyclopropyl-2-(trifluoromethyl)phenyl]boronic acid
CID 66521483
2-chloro-4-cyclopropyl-6-methylbenzoic acid
CID 140590142
4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene
CID 130067640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene (CID 67962907) is 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene is Cc1cc(C2CC2)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is IRFXJUOEIHERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13,14)15/h4-5,7H,2-3H2,1H3.
What are the key properties of 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene?
2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 234.65 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 67962907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).