2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol

C10H8ClF3O — CID 135313160

IUPAC2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol
SMILESOc1ccc(C2(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C10H8ClF3O/c11-7-5-6(1-2-8(7)15)9(3-4-9)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyUBDFZQJNSCMXGR-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.64
Rot. Bonds1

About 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol

2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol (PubChem CID 135313160) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol
PubChem CID135313160
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol
SMILESOc1ccc(C2(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C10H8ClF3O/c11-7-5-6(1-2-8(7)15)9(3-4-9)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyUBDFZQJNSCMXGR-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol?
The IUPAC name of 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol (CID 135313160) is 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol?
The canonical SMILES for 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol is Oc1ccc(C2(C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol?
The InChIKey is UBDFZQJNSCMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c11-7-5-6(1-2-8(7)15)9(3-4-9)10(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol?
2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol has a molecular weight of 236.62 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol is sourced from PubChem (CID 135313160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).