6-(difluoromethoxy)hexan-1-ol

C7H14F2O2 — CID 169119350

IUPAC6-(difluoromethoxy)hexan-1-ol
SMILESOCCCCCCOC(F)F
InChIInChI=1S/C7H14F2O2/c8-7(9)11-6-4-2-1-3-5-10/h7,10H,1-6H2
InChIKeyWNWDBZGQPQWRAU-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.78
Rot. Bonds7

About 6-(difluoromethoxy)hexan-1-ol

6-(difluoromethoxy)hexan-1-ol (PubChem CID 169119350) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 6-(difluoromethoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(difluoromethoxy)hexan-1-ol
PubChem CID169119350
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name6-(difluoromethoxy)hexan-1-ol
SMILESOCCCCCCOC(F)F
InChIInChI=1S/C7H14F2O2/c8-7(9)11-6-4-2-1-3-5-10/h7,10H,1-6H2
InChIKeyWNWDBZGQPQWRAU-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)decane
CID 14400535
6-(difluoromethoxy)hexanoic acid
CID 169119011
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
7-butan-2-yloxyheptan-1-ol
CID 90727194
5-docosan-5-yloxypentan-1-ol
CID 139884775
1-(difluoromethoxy)-2-fluoroethane
CID 87932237
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-hydroxypropoxymethanediol
CID 54044719
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
pentadecane-1,15-diol
CID 518994

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)hexan-1-ol?
The IUPAC name of 6-(difluoromethoxy)hexan-1-ol (CID 169119350) is 6-(difluoromethoxy)hexan-1-ol.
What is the SMILES notation for 6-(difluoromethoxy)hexan-1-ol?
The canonical SMILES for 6-(difluoromethoxy)hexan-1-ol is OCCCCCCOC(F)F.
What is the InChIKey of 6-(difluoromethoxy)hexan-1-ol?
The InChIKey is WNWDBZGQPQWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c8-7(9)11-6-4-2-1-3-5-10/h7,10H,1-6H2.
What are the key properties of 6-(difluoromethoxy)hexan-1-ol?
6-(difluoromethoxy)hexan-1-ol has a molecular weight of 168.18 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)hexan-1-ol is sourced from PubChem (CID 169119350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).