4,5,5-trifluoropentan-1-ol

C5H9F3O — CID 155522570

IUPAC4,5,5-trifluoropentan-1-ol
SMILESOCCCC(F)C(F)F
InChIInChI=1S/C5H9F3O/c6-4(5(7)8)2-1-3-9/h4-5,9H,1-3H2
InChIKeyMRXPTYWLYRQWPK-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.36
Rot. Bonds4

About 4,5,5-trifluoropentan-1-ol

4,5,5-trifluoropentan-1-ol (PubChem CID 155522570) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 4,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name4,5,5-trifluoropentan-1-ol
PubChem CID155522570
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name4,5,5-trifluoropentan-1-ol
SMILESOCCCC(F)C(F)F
InChIInChI=1S/C5H9F3O/c6-4(5(7)8)2-1-3-9/h4-5,9H,1-3H2
InChIKeyMRXPTYWLYRQWPK-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
Hexafluoroamylene glycol
CID 67831
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 74883
4,4,4-Trifluorobutan-1-ol
CID 136307
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
3-(Perfluoropropyl)propanol
CID 2774911
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
1-Pentanol, 5-fluoro-
CID 120291
5,5,5-Trifluoropentan-1-ol
CID 2769672
1H,1H-Nonafluoropentan-1-ol
CID 2782394
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluoropentan-1-ol
CID 53682984

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoropentan-1-ol?
The IUPAC name of 4,5,5-trifluoropentan-1-ol (CID 155522570) is 4,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 4,5,5-trifluoropentan-1-ol?
The canonical SMILES for 4,5,5-trifluoropentan-1-ol is OCCCC(F)C(F)F.
What is the InChIKey of 4,5,5-trifluoropentan-1-ol?
The InChIKey is MRXPTYWLYRQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c6-4(5(7)8)2-1-3-9/h4-5,9H,1-3H2.
What are the key properties of 4,5,5-trifluoropentan-1-ol?
4,5,5-trifluoropentan-1-ol has a molecular weight of 142.12 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 155522570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).