(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol

C10H10ClFO — CID 102462512

IUPAC(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol
SMILESC=C[C@H](Cl)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFO/c1-2-9(11)10(13)7-3-5-8(12)6-4-7/h2-6,9-10,13H,1H2/t9-,10-/m0/s1
InChIKeyFHWUXNKXQIMBPB-UWVGGRQHSA-N
MW200.64 g/mol
LogP2.65
Rot. Bonds3

About (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol

(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol (PubChem CID 102462512) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol
PubChem CID102462512
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol
SMILESC=C[C@H](Cl)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFO/c1-2-9(11)10(13)7-3-5-8(12)6-4-7/h2-6,9-10,13H,1H2/t9-,10-/m0/s1
InChIKeyFHWUXNKXQIMBPB-UWVGGRQHSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 44629566
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
(1R,2R)-1,2-bis(4-ethenylphenyl)ethane-1,2-diol
CID 11747528
(1R)-1-(4-fluorophenyl)buta-2,3-dien-1-ol
CID 130831291
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
(3S)-3-(4-fluorophenyl)pent-4-enoic acid
CID 124635167
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
methyl 2-(4-fluorophenyl)but-3-enoate
CID 146844756

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol?
The IUPAC name of (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol (CID 102462512) is (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol is C=C[C@H](Cl)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol?
The InChIKey is FHWUXNKXQIMBPB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-2-9(11)10(13)7-3-5-8(12)6-4-7/h2-6,9-10,13H,1H2/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol?
(1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-chloro-1-(4-fluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 102462512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).