1,2-difluoroheptane-1,1-diol

C7H14F2O2 — CID 151949145

IUPAC1,2-difluoroheptane-1,1-diol
SMILESCCCCCC(F)C(O)(O)F
InChIInChI=1S/C7H14F2O2/c1-2-3-4-5-6(8)7(9,10)11/h6,10-11H,2-5H2,1H3
InChIKeyTWGXIXLLPFCIJS-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.51
Rot. Bonds5

About 1,2-difluoroheptane-1,1-diol

1,2-difluoroheptane-1,1-diol (PubChem CID 151949145) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 1,2-difluoroheptane-1,1-diol.

Molecular Properties

Compound Name1,2-difluoroheptane-1,1-diol
PubChem CID151949145
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name1,2-difluoroheptane-1,1-diol
SMILESCCCCCC(F)C(O)(O)F
InChIInChI=1S/C7H14F2O2/c1-2-3-4-5-6(8)7(9,10)11/h6,10-11H,2-5H2,1H3
InChIKeyTWGXIXLLPFCIJS-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,2-difluoroheptane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,2-trifluorohexan-1-ol
CID 142765310
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
CID 151380849
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
(4S)-1,1-difluorononan-4-ol
CID 102090608
1,1,1-trifluorododecan-3-ol
CID 62606550
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroheptane-1,1-diol?
The IUPAC name of 1,2-difluoroheptane-1,1-diol (CID 151949145) is 1,2-difluoroheptane-1,1-diol.
What is the SMILES notation for 1,2-difluoroheptane-1,1-diol?
The canonical SMILES for 1,2-difluoroheptane-1,1-diol is CCCCCC(F)C(O)(O)F.
What is the InChIKey of 1,2-difluoroheptane-1,1-diol?
The InChIKey is TWGXIXLLPFCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c1-2-3-4-5-6(8)7(9,10)11/h6,10-11H,2-5H2,1H3.
What are the key properties of 1,2-difluoroheptane-1,1-diol?
1,2-difluoroheptane-1,1-diol has a molecular weight of 168.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroheptane-1,1-diol is sourced from PubChem (CID 151949145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).