1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol

C10H8ClF3O — CID 117117438

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C10H8ClF3O/c11-6-1-2-7(9(15)3-4-9)8(5-6)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyJJAKQAKOFGGGEE-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.34
Rot. Bonds1

About 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol

1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol (PubChem CID 117117438) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
PubChem CID117117438
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C10H8ClF3O/c11-6-1-2-7(9(15)3-4-9)8(5-6)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyJJAKQAKOFGGGEE-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol (CID 117117438) is 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol is OC1(c2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The InChIKey is JJAKQAKOFGGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c11-6-1-2-7(9(15)3-4-9)8(5-6)10(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol?
1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol has a molecular weight of 236.62 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117117438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).