1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol

C14H13ClFNO — CID 82045084

IUPAC1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
SMILESOC(CNc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-11-4-1-3-10(7-11)14(18)9-17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyQDSNEIZFCVOITQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol

1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol (PubChem CID 82045084) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
PubChem CID82045084
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
SMILESOC(CNc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-11-4-1-3-10(7-11)14(18)9-17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyQDSNEIZFCVOITQ-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-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol
CID 82121211
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol (CID 82045084) is 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol is OC(CNc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol?
The InChIKey is QDSNEIZFCVOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-11-4-1-3-10(7-11)14(18)9-17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2.
What are the key properties of 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol?
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol 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 1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 82045084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).