2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol

C14H11ClF3NO — CID 83108562

IUPAC2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-10-6-9(2-4-11(10)16)19-7-14(20)8-1-3-12(17)13(18)5-8/h1-6,14,19-20H,7H2
InChIKeyISSIREYWQNHTPW-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.90
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol

2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 83108562) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
PubChem CID83108562
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-10-6-9(2-4-11(10)16)19-7-14(20)8-1-3-12(17)13(18)5-8/h1-6,14,19-20H,7H2
InChIKeyISSIREYWQNHTPW-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol (CID 83108562) is 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol is OC(CNc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is ISSIREYWQNHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-10-6-9(2-4-11(10)16)19-7-14(20)8-1-3-12(17)13(18)5-8/h1-6,14,19-20H,7H2.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol?
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 301.70 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 83108562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).