1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol

C4H5F5O — CID 19788883

IUPAC1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol
SMILESOC(CF)(C(F)F)C(F)F
InChIInChI=1S/C4H5F5O/c5-1-4(10,2(6)7)3(8)9/h2-3,10H,1H2
InChIKeyQPYFFPGVCFJZRY-UHFFFAOYSA-N
MW164.07 g/mol
LogP1.22
Rot. Bonds3

About 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol

1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol (PubChem CID 19788883) has the molecular formula C4H5F5O and a molecular weight of 164.07 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol
PubChem CID19788883
Molecular FormulaC4H5F5O
Molecular Weight164.07 g/mol
Exact Mass164.03
IUPAC Name1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol
SMILESOC(CF)(C(F)F)C(F)F
InChIInChI=1S/C4H5F5O/c5-1-4(10,2(6)7)3(8)9/h2-3,10H,1H2
InChIKeyQPYFFPGVCFJZRY-UHFFFAOYSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5,5-difluoro-2,3,4-trihydroxy-4-(hydroxymethyl)pentanal
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1,2-difluoro-1-iodoethane
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4-fluoro-3,3-bis(fluoromethyl)-2-hydroxybutanoic acid
CID 171487046
(1-fluoro-2-methylpropan-2-yl) 2,2-dimethylbutanoate;1,1,1,2,3,3-hexafluoropropan-2-ol
CID 91236073
1,1,3,3-tetrafluoropropan-2-imine
CID 56634863
difluoromethanol;trifluoromethanol
CID 174795938
1,1-difluoro-2,4-dimethylpentan-2-ol
CID 80605708
3,3,4,4-tetrafluorobutanoic acid
CID 29005286

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol?
The IUPAC name of 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol (CID 19788883) is 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol.
What is the SMILES notation for 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol?
The canonical SMILES for 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol is OC(CF)(C(F)F)C(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol?
The InChIKey is QPYFFPGVCFJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O/c5-1-4(10,2(6)7)3(8)9/h2-3,10H,1H2.
What are the key properties of 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol?
1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol has a molecular weight of 164.07 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-2-(fluoromethyl)propan-2-ol is sourced from PubChem (CID 19788883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).