4,5,5,5-tetrafluoro-4-methylpentan-1-ol

C6H10F4O — CID 58901235

IUPAC4,5,5,5-tetrafluoro-4-methylpentan-1-ol
SMILESCC(F)(CCCO)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-5(7,3-2-4-11)6(8,9)10/h11H,2-4H2,1H3
InChIKeyJMRUFCLHIXHGAO-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.05
Rot. Bonds3

About 4,5,5,5-tetrafluoro-4-methylpentan-1-ol

4,5,5,5-tetrafluoro-4-methylpentan-1-ol (PubChem CID 58901235) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-methylpentan-1-ol
PubChem CID58901235
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name4,5,5,5-tetrafluoro-4-methylpentan-1-ol
SMILESCC(F)(CCCO)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-5(7,3-2-4-11)6(8,9)10/h11H,2-4H2,1H3
InChIKeyJMRUFCLHIXHGAO-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Perfluoroisopropyl)propanol
CID 542739
3,3-Difluoropentan-1-ol
CID 53682984
4,4-Difluoropentan-1-ol
CID 54148084
1H,1H,3H-Perfluoro(2,4-dimethylpentan-1-ol)
CID 2782564
2,2-Difluoropentan-1-ol
CID 23381520
4,4,5,5-Tetrafluoropentan-1-ol
CID 54145160
4,5,5,5-Tetrafluoropentan-1-ol
CID 155546328
5,5,5-Trifluoro-3-methyl-1-pentanol
CID 23273440
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
3,3,4,4-Tetrafluoropentan-1-ol
CID 58568310
3,5,5,5-Tetrafluoropentan-1-ol
CID 155517614
3,3-Difluoro-4,4-dimethylpentan-1-ol
CID 105429698

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-methylpentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-4-methylpentan-1-ol (CID 58901235) is 4,5,5,5-tetrafluoro-4-methylpentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-methylpentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-methylpentan-1-ol is CC(F)(CCCO)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-methylpentan-1-ol?
The InChIKey is JMRUFCLHIXHGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-5(7,3-2-4-11)6(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 4,5,5,5-tetrafluoro-4-methylpentan-1-ol?
4,5,5,5-tetrafluoro-4-methylpentan-1-ol has a molecular weight of 174.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-methylpentan-1-ol is sourced from PubChem (CID 58901235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).