6-(difluoromethyl)-3,7-dimethyloctan-1-ol

C11H22F2O — CID 166444510

IUPAC6-(difluoromethyl)-3,7-dimethyloctan-1-ol
SMILESCC(CCO)CCC(C(C)C)C(F)F
InChIInChI=1S/C11H22F2O/c1-8(2)10(11(12)13)5-4-9(3)6-7-14/h8-11,14H,4-7H2,1-3H3
InChIKeyVVMIWJUVIHSMKY-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.32
Rot. Bonds7

About 6-(difluoromethyl)-3,7-dimethyloctan-1-ol

6-(difluoromethyl)-3,7-dimethyloctan-1-ol (PubChem CID 166444510) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name6-(difluoromethyl)-3,7-dimethyloctan-1-ol
PubChem CID166444510
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name6-(difluoromethyl)-3,7-dimethyloctan-1-ol
SMILESCC(CCO)CCC(C(C)C)C(F)F
InChIInChI=1S/C11H22F2O/c1-8(2)10(11(12)13)5-4-9(3)6-7-14/h8-11,14H,4-7H2,1-3H3
InChIKeyVVMIWJUVIHSMKY-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,7-dimethyloctan-1-ol?
The IUPAC name of 6-(difluoromethyl)-3,7-dimethyloctan-1-ol (CID 166444510) is 6-(difluoromethyl)-3,7-dimethyloctan-1-ol.
What is the SMILES notation for 6-(difluoromethyl)-3,7-dimethyloctan-1-ol?
The canonical SMILES for 6-(difluoromethyl)-3,7-dimethyloctan-1-ol is CC(CCO)CCC(C(C)C)C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3,7-dimethyloctan-1-ol?
The InChIKey is VVMIWJUVIHSMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-8(2)10(11(12)13)5-4-9(3)6-7-14/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 6-(difluoromethyl)-3,7-dimethyloctan-1-ol?
6-(difluoromethyl)-3,7-dimethyloctan-1-ol has a molecular weight of 208.29 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,7-dimethyloctan-1-ol is sourced from PubChem (CID 166444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).