1,2,3,4-tetrafluorobutane-1,4-diol

C4H6F4O2 — CID 22595048

IUPAC1,2,3,4-tetrafluorobutane-1,4-diol
SMILESOC(F)C(F)C(F)C(O)F
InChIInChI=1S/C4H6F4O2/c5-1(3(7)9)2(6)4(8)10/h1-4,9-10H
InChIKeyNIBDTHKVEBXNRY-UHFFFAOYSA-N
MW162.08 g/mol
LogP0.24
Rot. Bonds3

About 1,2,3,4-tetrafluorobutane-1,4-diol

1,2,3,4-tetrafluorobutane-1,4-diol (PubChem CID 22595048) has the molecular formula C4H6F4O2 and a molecular weight of 162.08 g/mol. Its IUPAC name is 1,2,3,4-tetrafluorobutane-1,4-diol.

Molecular Properties

Compound Name1,2,3,4-tetrafluorobutane-1,4-diol
PubChem CID22595048
Molecular FormulaC4H6F4O2
Molecular Weight162.08 g/mol
Exact Mass162.03
IUPAC Name1,2,3,4-tetrafluorobutane-1,4-diol
SMILESOC(F)C(F)C(F)C(O)F
InChIInChI=1S/C4H6F4O2/c5-1(3(7)9)2(6)4(8)10/h1-4,9-10H
InChIKeyNIBDTHKVEBXNRY-UHFFFAOYSA-N
XLogP0.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6-hexafluorohexan-1-ol
CID 87481869
sodium;hydride;1,2,3,4,5-pentafluoropentan-1-ol
CID 175062785
1,2,3,4-tetrafluoro-4-hydroxybutane-1-sulfonic acid
CID 175187985
1,2,3,4,9-pentafluorononan-1-ol
CID 166745168
1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
CID 87439552
1,1,3,4-tetrafluoro-4-hydroxybutane-2-sulfinic acid
CID 174730302
1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)
CID 87363982
1-fluoroethanol;rutherfordium
CID 58987118
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol
CID 166745172
(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
CID 177129718

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluorobutane-1,4-diol?
The IUPAC name of 1,2,3,4-tetrafluorobutane-1,4-diol (CID 22595048) is 1,2,3,4-tetrafluorobutane-1,4-diol.
What is the SMILES notation for 1,2,3,4-tetrafluorobutane-1,4-diol?
The canonical SMILES for 1,2,3,4-tetrafluorobutane-1,4-diol is OC(F)C(F)C(F)C(O)F.
What is the InChIKey of 1,2,3,4-tetrafluorobutane-1,4-diol?
The InChIKey is NIBDTHKVEBXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O2/c5-1(3(7)9)2(6)4(8)10/h1-4,9-10H.
What are the key properties of 1,2,3,4-tetrafluorobutane-1,4-diol?
1,2,3,4-tetrafluorobutane-1,4-diol has a molecular weight of 162.08 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluorobutane-1,4-diol is sourced from PubChem (CID 22595048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).