(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol

C9H9ClFNO — CID 97050015

IUPAC(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol
SMILESN[C@@H](O)/C=C(\Cl)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-5,9,13H,12H2/b8-5-/t9-/m0/s1
InChIKeyFGZVSNRSFKFBIM-RDOCRHDPSA-N
MW201.63 g/mol
LogP1.68
Rot. Bonds2

About (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol

(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 97050015) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol
PubChem CID97050015
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol
SMILESN[C@@H](O)/C=C(\Cl)c1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-5,9,13H,12H2/b8-5-/t9-/m0/s1
InChIKeyFGZVSNRSFKFBIM-RDOCRHDPSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
CID 139263654
(2E,4Z)-5-chloro-5-(4-fluorophenyl)penta-2,4-dienoic acid
CID 121224628
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene
CID 125477253
1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
CID 132524385
2-(4-fluorophenyl)-2-oxoacetyl chloride
CID 20638620
1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 175932173
(1Z)-1-chloro-1-[4-[4-[(1Z)-1-chloro-3-hydroxyhexa-1,5-dienyl]phenyl]sulfanylphenyl]hexa-1,5-dien-3-ol
CID 10884804
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
1-[chloro(cyclopropylidene)methyl]-4-fluorobenzene
CID 89037660
chloromethane;4-fluorobenzamide
CID 158476805
1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
CID 57332043

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol (CID 97050015) is (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol is N[C@@H](O)/C=C(\Cl)c1ccc(F)cc1.
What is the InChIKey of (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is FGZVSNRSFKFBIM-RDOCRHDPSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-5,9,13H,12H2/b8-5-/t9-/m0/s1.
What are the key properties of (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol?
(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 201.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 97050015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).