1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol

C18H34F4O2 — CID 142761880

IUPAC1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol
SMILESCCCC(CCCCCCCCC(CCC)C(O)(F)F)C(O)(F)F
InChIInChI=1S/C18H34F4O2/c1-3-11-15(17(19,20)23)13-9-7-5-6-8-10-14-16(12-4-2)18(21,22)24/h15-16,23-24H,3-14H2,1-2H3
InChIKeyDOVDHTYSXHNFBP-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.11
Rot. Bonds15

About 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol

1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol (PubChem CID 142761880) has the molecular formula C18H34F4O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol.

Molecular Properties

Compound Name1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol
PubChem CID142761880
Molecular FormulaC18H34F4O2
Molecular Weight358.46 g/mol
Exact Mass358.25
IUPAC Name1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol
SMILESCCCC(CCCCCCCCC(CCC)C(O)(F)F)C(O)(F)F
InChIInChI=1S/C18H34F4O2/c1-3-11-15(17(19,20)23)13-9-7-5-6-8-10-14-16(12-4-2)18(21,22)24/h15-16,23-24H,3-14H2,1-2H3
InChIKeyDOVDHTYSXHNFBP-UHFFFAOYSA-N
XLogP6.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol?
The IUPAC name of 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol (CID 142761880) is 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol.
What is the SMILES notation for 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol?
The canonical SMILES for 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol is CCCC(CCCCCCCCC(CCC)C(O)(F)F)C(O)(F)F.
What is the InChIKey of 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol?
The InChIKey is DOVDHTYSXHNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F4O2/c1-3-11-15(17(19,20)23)13-9-7-5-6-8-10-14-16(12-4-2)18(21,22)24/h15-16,23-24H,3-14H2,1-2H3.
What are the key properties of 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol?
1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol has a molecular weight of 358.46 g/mol, XLogP of 6.11, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,12,12-tetrafluoro-2,11-dipropyldodecane-1,12-diol is sourced from PubChem (CID 142761880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).