3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol

C12H20ClFO — CID 153333928

IUPAC3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol
SMILESCC(O)C(Cl)C(F)C(C)C1=CCCCC1
InChIInChI=1S/C12H20ClFO/c1-8(10-6-4-3-5-7-10)12(14)11(13)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3
InChIKeyCPXBERRHKBHAEE-UHFFFAOYSA-N
MW234.74 g/mol
LogP3.45
Rot. Bonds4

About 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol

3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol (PubChem CID 153333928) has the molecular formula C12H20ClFO and a molecular weight of 234.74 g/mol. Its IUPAC name is 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol.

Molecular Properties

Compound Name3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol
PubChem CID153333928
Molecular FormulaC12H20ClFO
Molecular Weight234.74 g/mol
Exact Mass234.12
IUPAC Name3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol
SMILESCC(O)C(Cl)C(F)C(C)C1=CCCCC1
InChIInChI=1S/C12H20ClFO/c1-8(10-6-4-3-5-7-10)12(14)11(13)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3
InChIKeyCPXBERRHKBHAEE-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.74
LogP ≤ 53.45
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

2-Chloro-4-(4-cyclohexylcyclohexen-1-yl)-3-fluorocyclohexan-1-ol
CID 138475192
3-Chloro-4-fluoro-5,9,10-trimethyl-6-methylidenetetradecan-2-ol
CID 142330908
5-(Cyclohexen-1-yl)-3,4-difluorohexan-2-ol
CID 153333914
4-Chloro-5-(cyclohexen-1-yl)-3-fluorohexan-2-ol
CID 153333915
(2S)-1-(3-chlorocyclohex-3-en-1-yl)-5-fluoro-2-methylheptan-1-ol
CID 164122382
(2R)-1-chloro-4-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 44222067
(2R)-1-chloro-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 135040007
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
CID 138977954
3,4-Difluoro-5-(4-methylcyclohexen-1-yl)hexan-2-ol
CID 142421438
1,1,1-Trichloro-4-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
CID 13238440
cis-(1R,2S)-2-[(6-chlorocyclohexa-1,4-dien-1-yl)methyl]cyclopentan-1-ol
CID 56983155
6-Chloro-2-(3,7-dimethyloctyl)-4-methylcyclohexa-2,4-dien-1-ol
CID 68017521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol?
The IUPAC name of 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol (CID 153333928) is 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol.
What is the SMILES notation for 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol?
The canonical SMILES for 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol is CC(O)C(Cl)C(F)C(C)C1=CCCCC1.
What is the InChIKey of 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol?
The InChIKey is CPXBERRHKBHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClFO/c1-8(10-6-4-3-5-7-10)12(14)11(13)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3.
What are the key properties of 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol?
3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol has a molecular weight of 234.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol is sourced from PubChem (CID 153333928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).