2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid

C12H10ClF3O3 — CID 117475183

IUPAC2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H10ClF3O3/c13-7-3-6(12(14,15)16)4-8(17)10(7)11(1-2-11)5-9(18)19/h3-4,17H,1-2,5H2,(H,18,19)
InChIKeyCAQWAPQHHPIKAE-UHFFFAOYSA-N
MW294.66 g/mol
LogP3.57
Rot. Bonds3

About 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid

2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117475183) has the molecular formula C12H10ClF3O3 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
PubChem CID117475183
Molecular FormulaC12H10ClF3O3
Molecular Weight294.66 g/mol
Exact Mass294.03
IUPAC Name2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H10ClF3O3/c13-7-3-6(12(14,15)16)4-8(17)10(7)11(1-2-11)5-9(18)19/h3-4,17H,1-2,5H2,(H,18,19)
InChIKeyCAQWAPQHHPIKAE-UHFFFAOYSA-N
XLogP3.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid (CID 117475183) is 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2c(O)cc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is CAQWAPQHHPIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3O3/c13-7-3-6(12(14,15)16)4-8(17)10(7)11(1-2-11)5-9(18)19/h3-4,17H,1-2,5H2,(H,18,19).
What are the key properties of 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 294.66 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117475183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).