1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol

C12H20F2O — CID 71163604

IUPAC1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol
SMILESCCCC(O)C(F)(F)C1C=CC(C)CC1
InChIInChI=1S/C12H20F2O/c1-3-4-11(15)12(13,14)10-7-5-9(2)6-8-10/h5,7,9-11,15H,3-4,6,8H2,1-2H3
InChIKeyDZLRVILNSXAURI-UHFFFAOYSA-N
MW218.29 g/mol
LogP3.38
Rot. Bonds4

About 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol

1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol (PubChem CID 71163604) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol
PubChem CID71163604
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol
SMILESCCCC(O)C(F)(F)C1C=CC(C)CC1
InChIInChI=1S/C12H20F2O/c1-3-4-11(15)12(13,14)10-7-5-9(2)6-8-10/h5,7,9-11,15H,3-4,6,8H2,1-2H3
InChIKeyDZLRVILNSXAURI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol?
The IUPAC name of 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol (CID 71163604) is 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol is CCCC(O)C(F)(F)C1C=CC(C)CC1.
What is the InChIKey of 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol?
The InChIKey is DZLRVILNSXAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-3-4-11(15)12(13,14)10-7-5-9(2)6-8-10/h5,7,9-11,15H,3-4,6,8H2,1-2H3.
What are the key properties of 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol?
1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol has a molecular weight of 218.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol is sourced from PubChem (CID 71163604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).