7,7-difluorohept-6-en-2-ol

C7H12F2O — CID 86229427

IUPAC7,7-difluorohept-6-en-2-ol
SMILESCC(O)CCCC=C(F)F
InChIInChI=1S/C7H12F2O/c1-6(10)4-2-3-5-7(8)9/h5-6,10H,2-4H2,1H3
InChIKeyGQJIXKONBZMXJS-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.32
Rot. Bonds4

About 7,7-difluorohept-6-en-2-ol

7,7-difluorohept-6-en-2-ol (PubChem CID 86229427) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 7,7-difluorohept-6-en-2-ol.

Molecular Properties

Compound Name7,7-difluorohept-6-en-2-ol
PubChem CID86229427
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name7,7-difluorohept-6-en-2-ol
SMILESCC(O)CCCC=C(F)F
InChIInChI=1S/C7H12F2O/c1-6(10)4-2-3-5-7(8)9/h5-6,10H,2-4H2,1H3
InChIKeyGQJIXKONBZMXJS-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluorohept-6-en-2-ol?
The IUPAC name of 7,7-difluorohept-6-en-2-ol (CID 86229427) is 7,7-difluorohept-6-en-2-ol.
What is the SMILES notation for 7,7-difluorohept-6-en-2-ol?
The canonical SMILES for 7,7-difluorohept-6-en-2-ol is CC(O)CCCC=C(F)F.
What is the InChIKey of 7,7-difluorohept-6-en-2-ol?
The InChIKey is GQJIXKONBZMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-6(10)4-2-3-5-7(8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of 7,7-difluorohept-6-en-2-ol?
7,7-difluorohept-6-en-2-ol has a molecular weight of 150.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorohept-6-en-2-ol is sourced from PubChem (CID 86229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).