3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol

C5H5F7O — CID 2782615

IUPAC3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2
InChIKeyKKVIDVONCZYZLR-UHFFFAOYSA-N
MW214.08 g/mol
LogP2.20
Rot. Bonds2

About 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol

3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol (PubChem CID 2782615) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
PubChem CID2782615
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2
InChIKeyKKVIDVONCZYZLR-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol (CID 2782615) is 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol is OCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The InChIKey is KKVIDVONCZYZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol has a molecular weight of 214.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 2782615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).