1,2,2,3-tetrafluorobutan-1-ol

C4H6F4O — CID 173218185

IUPAC1,2,2,3-tetrafluorobutan-1-ol
SMILESCC(F)C(F)(F)C(O)F
InChIInChI=1S/C4H6F4O/c1-2(5)4(7,8)3(6)9/h2-3,9H,1H3
InChIKeyKGDPXFUXHPFIJB-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.27
Rot. Bonds2

About 1,2,2,3-tetrafluorobutan-1-ol

1,2,2,3-tetrafluorobutan-1-ol (PubChem CID 173218185) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 1,2,2,3-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name1,2,2,3-tetrafluorobutan-1-ol
PubChem CID173218185
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name1,2,2,3-tetrafluorobutan-1-ol
SMILESCC(F)C(F)(F)C(O)F
InChIInChI=1S/C4H6F4O/c1-2(5)4(7,8)3(6)9/h2-3,9H,1H3
InChIKeyKGDPXFUXHPFIJB-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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azane;1,1,1-trifluoropropan-2-ol
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difluoromethanol;trifluoromethanol
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3,3,4-trifluoropentan-2-one
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carbonic acid;1,2-difluoropropane-1,2-diol
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3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
CID 146550154
2,2-difluoro-1-methoxy-3-methylbutan-1-ol
CID 10241005
4,4,5,5-tetrafluoropentan-2-ol
CID 131061196

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrafluorobutan-1-ol?
The IUPAC name of 1,2,2,3-tetrafluorobutan-1-ol (CID 173218185) is 1,2,2,3-tetrafluorobutan-1-ol.
What is the SMILES notation for 1,2,2,3-tetrafluorobutan-1-ol?
The canonical SMILES for 1,2,2,3-tetrafluorobutan-1-ol is CC(F)C(F)(F)C(O)F.
What is the InChIKey of 1,2,2,3-tetrafluorobutan-1-ol?
The InChIKey is KGDPXFUXHPFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-2(5)4(7,8)3(6)9/h2-3,9H,1H3.
What are the key properties of 1,2,2,3-tetrafluorobutan-1-ol?
1,2,2,3-tetrafluorobutan-1-ol has a molecular weight of 146.08 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrafluorobutan-1-ol is sourced from PubChem (CID 173218185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).