1-fluoroheptane-1,7-diol

C7H15FO2 — CID 174774805

IUPAC1-fluoroheptane-1,7-diol
SMILESOCCCCCCC(O)F
InChIInChI=1S/C7H15FO2/c8-7(10)5-3-1-2-4-6-9/h7,9-10H,1-6H2
InChIKeyYHTOAROTNOCSBI-UHFFFAOYSA-N
MW150.19 g/mol
LogP1.22
Rot. Bonds6

About 1-fluoroheptane-1,7-diol

1-fluoroheptane-1,7-diol (PubChem CID 174774805) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is 1-fluoroheptane-1,7-diol.

Molecular Properties

Compound Name1-fluoroheptane-1,7-diol
PubChem CID174774805
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name1-fluoroheptane-1,7-diol
SMILESOCCCCCCC(O)F
InChIInChI=1S/C7H15FO2/c8-7(10)5-3-1-2-4-6-9/h7,9-10H,1-6H2
InChIKeyYHTOAROTNOCSBI-UHFFFAOYSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
1-fluoropropane-1,3-diol
CID 91101835
tridecane-1,4,5,13-tetrol
CID 57164237
tridecane-1,4,13-triol
CID 90439734
undecane-1,9-diol
CID 56629636
decane-1,8-diol
CID 160857478
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
(10S)-undecane-1,10-diol
CID 129382222
hexadecane-1,3,16-triol
CID 90439794

Frequently Asked Questions

What is the IUPAC name of 1-fluoroheptane-1,7-diol?
The IUPAC name of 1-fluoroheptane-1,7-diol (CID 174774805) is 1-fluoroheptane-1,7-diol.
What is the SMILES notation for 1-fluoroheptane-1,7-diol?
The canonical SMILES for 1-fluoroheptane-1,7-diol is OCCCCCCC(O)F.
What is the InChIKey of 1-fluoroheptane-1,7-diol?
The InChIKey is YHTOAROTNOCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c8-7(10)5-3-1-2-4-6-9/h7,9-10H,1-6H2.
What are the key properties of 1-fluoroheptane-1,7-diol?
1-fluoroheptane-1,7-diol has a molecular weight of 150.19 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptane-1,7-diol is sourced from PubChem (CID 174774805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).