1,4,4-trifluoro-3-methylbutan-1-ol

C5H9F3O — CID 142508491

IUPAC1,4,4-trifluoro-3-methylbutan-1-ol
SMILESCC(CC(O)F)C(F)F
InChIInChI=1S/C5H9F3O/c1-3(5(7)8)2-4(6)9/h3-5,9H,2H2,1H3
InChIKeyDVCJCBTXYZPMCB-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.57
Rot. Bonds3

About 1,4,4-trifluoro-3-methylbutan-1-ol

1,4,4-trifluoro-3-methylbutan-1-ol (PubChem CID 142508491) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,4,4-trifluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name1,4,4-trifluoro-3-methylbutan-1-ol
PubChem CID142508491
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1,4,4-trifluoro-3-methylbutan-1-ol
SMILESCC(CC(O)F)C(F)F
InChIInChI=1S/C5H9F3O/c1-3(5(7)8)2-4(6)9/h3-5,9H,2H2,1H3
InChIKeyDVCJCBTXYZPMCB-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425
1,3-difluoropropane-1,3-diol;iridium
CID 174140036
2,5,5-trifluoro-4-methylpentanoic acid
CID 140926725
1-fluoroethanol;rutherfordium
CID 58987118
molybdenum;bis(propan-2-ol)
CID 139825284
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
CID 174646799
(3,3-difluoro-2-methylpropyl)carbamic acid
CID 88688289
2,6,6-trifluoro-5-methylhexanoic acid
CID 142641839
(2R,4S)-4,5-dimethylhexan-2-ol
CID 124507307
(2S,4R)-4,5-dimethylhexan-2-ol
CID 124507308
1,1,5-trifluoro-3-methylpentane-2,4-diol
CID 87694128

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trifluoro-3-methylbutan-1-ol?
The IUPAC name of 1,4,4-trifluoro-3-methylbutan-1-ol (CID 142508491) is 1,4,4-trifluoro-3-methylbutan-1-ol.
What is the SMILES notation for 1,4,4-trifluoro-3-methylbutan-1-ol?
The canonical SMILES for 1,4,4-trifluoro-3-methylbutan-1-ol is CC(CC(O)F)C(F)F.
What is the InChIKey of 1,4,4-trifluoro-3-methylbutan-1-ol?
The InChIKey is DVCJCBTXYZPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-3(5(7)8)2-4(6)9/h3-5,9H,2H2,1H3.
What are the key properties of 1,4,4-trifluoro-3-methylbutan-1-ol?
1,4,4-trifluoro-3-methylbutan-1-ol has a molecular weight of 142.12 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluoro-3-methylbutan-1-ol is sourced from PubChem (CID 142508491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).