3,3,3-trifluoro-2-methylpropan-1-ol

C4H7F3O — CID 10148993

IUPAC3,3,3-trifluoro-2-methylpropan-1-ol
SMILESCC(CO)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(2-8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyGPEPNXRUEOKKDO-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.18
Rot. Bonds1

About 3,3,3-trifluoro-2-methylpropan-1-ol

3,3,3-trifluoro-2-methylpropan-1-ol (PubChem CID 10148993) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropan-1-ol
PubChem CID10148993
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name3,3,3-trifluoro-2-methylpropan-1-ol
SMILESCC(CO)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(2-8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyGPEPNXRUEOKKDO-UHFFFAOYSA-N
XLogP1.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-methylpropan-1-ol (CID 10148993) is 3,3,3-trifluoro-2-methylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropan-1-ol is CC(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropan-1-ol?
The InChIKey is GPEPNXRUEOKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-3(2-8)4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methylpropan-1-ol?
3,3,3-trifluoro-2-methylpropan-1-ol has a molecular weight of 128.09 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylpropan-1-ol is sourced from PubChem (CID 10148993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).