2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol

C15H14ClF2NO — CID 115528114

IUPAC2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
SMILESOCC(Nc1ccccc1Cl)c1cccc(C(F)F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-6-1-2-7-13(12)19-14(9-20)10-4-3-5-11(8-10)15(17)18/h1-8,14-15,19-20H,9H2
InChIKeyUTOSTPLJLUALEN-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol

2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol (PubChem CID 115528114) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
PubChem CID115528114
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
SMILESOCC(Nc1ccccc1Cl)c1cccc(C(F)F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-6-1-2-7-13(12)19-14(9-20)10-4-3-5-11(8-10)15(17)18/h1-8,14-15,19-20H,9H2
InChIKeyUTOSTPLJLUALEN-UHFFFAOYSA-N
XLogP4.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528120
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol (CID 115528114) is 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol is OCC(Nc1ccccc1Cl)c1cccc(C(F)F)c1.
What is the InChIKey of 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol?
The InChIKey is UTOSTPLJLUALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-12-6-1-2-7-13(12)19-14(9-20)10-4-3-5-11(8-10)15(17)18/h1-8,14-15,19-20H,9H2.
What are the key properties of 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol?
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol has a molecular weight of 297.73 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115528114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).