5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol

C12H20F2O — CID 153333914

IUPAC5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol
SMILESCC(O)C(F)C(F)C(C)C1=CCCCC1
InChIInChI=1S/C12H20F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3
InChIKeyNUTSCEWCXCUHCB-UHFFFAOYSA-N
MW218.29 g/mol
LogP3.18
Rot. Bonds4

About 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol

5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol (PubChem CID 153333914) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol
PubChem CID153333914
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol
SMILESCC(O)C(F)C(F)C(C)C1=CCCCC1
InChIInChI=1S/C12H20F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3
InChIKeyNUTSCEWCXCUHCB-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol?
The IUPAC name of 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol (CID 153333914) is 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol?
The canonical SMILES for 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol is CC(O)C(F)C(F)C(C)C1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol?
The InChIKey is NUTSCEWCXCUHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h6,8-9,11-12,15H,3-5,7H2,1-2H3.
What are the key properties of 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol?
5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol has a molecular weight of 218.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3,4-difluorohexan-2-ol is sourced from PubChem (CID 153333914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).