(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol

C10H10ClFO — CID 95011857

IUPAC(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h2,4-6,10,13H,1,3H2/t10-/m1/s1
InChIKeyCTPDEALAUFHHDV-SNVBAGLBSA-N
MW200.64 g/mol
LogP3.09
Rot. Bonds3

About (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol

(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol (PubChem CID 95011857) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
PubChem CID95011857
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h2,4-6,10,13H,1,3H2/t10-/m1/s1
InChIKeyCTPDEALAUFHHDV-SNVBAGLBSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-3-hydroxypropanal
CID 114795328
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
1-(3-bromo-4-chlorophenyl)but-3-en-1-ol
CID 115566306
1-(4-chloro-3-methylphenyl)but-3-en-1-ol
CID 2757692
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
2-fluoro-4-(1-hydroxybut-3-enyl)benzonitrile
CID 18009111
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol (CID 95011857) is (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol is C=CC[C@@H](O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol?
The InChIKey is CTPDEALAUFHHDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h2,4-6,10,13H,1,3H2/t10-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol?
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol has a molecular weight of 200.64 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 95011857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).