1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol

C13H14ClFO — CID 102617456

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1(Cc2cc(F)ccc2Cl)C=CCCC1
InChIInChI=1S/C13H14ClFO/c14-12-5-4-11(15)8-10(12)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2
InChIKeyTYKRSCDAWCBVSR-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.49
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol

1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol (PubChem CID 102617456) has the molecular formula C13H14ClFO and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
PubChem CID102617456
Molecular FormulaC13H14ClFO
Molecular Weight240.71 g/mol
Exact Mass240.07
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1(Cc2cc(F)ccc2Cl)C=CCCC1
InChIInChI=1S/C13H14ClFO/c14-12-5-4-11(15)8-10(12)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2
InChIKeyTYKRSCDAWCBVSR-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.49
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

1-[(4-chloro-2-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 114852720
1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 107883733
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol (CID 102617456) is 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol is OC1(Cc2cc(F)ccc2Cl)C=CCCC1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The InChIKey is TYKRSCDAWCBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-12-5-4-11(15)8-10(12)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol?
1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol has a molecular weight of 240.71 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 102617456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).