2-(3-chloro-4-fluoroanilino)-1-phenylethanol

C14H13ClFNO — CID 82045081

IUPAC2-(3-chloro-4-fluoroanilino)-1-phenylethanol
SMILESOC(CNc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClFNO/c15-12-8-11(6-7-13(12)16)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyLWCPCVRVGQEGHY-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.62
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-1-phenylethanol

2-(3-chloro-4-fluoroanilino)-1-phenylethanol (PubChem CID 82045081) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-1-phenylethanol
PubChem CID82045081
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-(3-chloro-4-fluoroanilino)-1-phenylethanol
SMILESOC(CNc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClFNO/c15-12-8-11(6-7-13(12)16)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyLWCPCVRVGQEGHY-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-phenylethanol?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-1-phenylethanol (CID 82045081) is 2-(3-chloro-4-fluoroanilino)-1-phenylethanol.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-1-phenylethanol?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-1-phenylethanol is OC(CNc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-1-phenylethanol?
The InChIKey is LWCPCVRVGQEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-12-8-11(6-7-13(12)16)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-1-phenylethanol?
2-(3-chloro-4-fluoroanilino)-1-phenylethanol has a molecular weight of 265.72 g/mol, XLogP of 3.62, 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-phenylethanol is sourced from PubChem (CID 82045081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).