2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol

C7H6F10O2 — CID 12040480

IUPAC2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol
SMILESOCC(F)(CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c8-3(1-18,2-19)4(9,10)5(11,12)6(13,14)7(15,16)17/h18-19H,1-2H2
InChIKeyNAZYBUJXWCXDBX-UHFFFAOYSA-N
MW312.10 g/mol
LogP2.15
Rot. Bonds5

About 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol

2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol (PubChem CID 12040480) has the molecular formula C7H6F10O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol.

Molecular Properties

Compound Name2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol
PubChem CID12040480
Molecular FormulaC7H6F10O2
Molecular Weight312.10 g/mol
Exact Mass312.02
IUPAC Name2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol
SMILESOCC(F)(CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c8-3(1-18,2-19)4(9,10)5(11,12)6(13,14)7(15,16)17/h18-19H,1-2H2
InChIKeyNAZYBUJXWCXDBX-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol?
The IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol (CID 12040480) is 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol.
What is the SMILES notation for 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol?
The canonical SMILES for 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol is OCC(F)(CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol?
The InChIKey is NAZYBUJXWCXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O2/c8-3(1-18,2-19)4(9,10)5(11,12)6(13,14)7(15,16)17/h18-19H,1-2H2.
What are the key properties of 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol?
2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol has a molecular weight of 312.10 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)propane-1,3-diol is sourced from PubChem (CID 12040480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).