Pentafluoropropanol

C3H3F5O — CID 168785

IUPAC1,1,2,2,3-pentafluoropropan-1-ol
SMILESC(C(C(O)(F)F)(F)F)F
InChIInChI=1S/C3H3F5O/c4-1-2(5,6)3(7,8)9/h9H,1H2
InChIKeyCOWKRCCNQSQUGJ-UHFFFAOYSA-N
MW150.05 g/mol
LogP1.30
Rot. Bonds2

About Pentafluoropropanol

Pentafluoropropanol (PubChem CID 168785) has the molecular formula C3H3F5O and a molecular weight of 150.05 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropan-1-ol.

Molecular Properties

Compound NamePentafluoropropanol
PubChem CID168785
Molecular FormulaC3H3F5O
Molecular Weight150.05 g/mol
Exact Mass150.01
IUPAC Name1,1,2,2,3-pentafluoropropan-1-ol
SMILESC(C(C(O)(F)F)(F)F)F
InChIInChI=1S/C3H3F5O/c4-1-2(5,6)3(7,8)9/h9H,1H2
InChIKeyCOWKRCCNQSQUGJ-UHFFFAOYSA-N
XLogP1.30
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity100

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoropropanol
CID 2759273
1,1,2,3,3,3-Hexafluoropropan-1-ol
CID 11665471
1-Propanol, hexafluoro-
CID 148644
1,1,2,2-Tetrafluoropropan-1-ol
CID 12757724
1,1,1,2,3,3-Hexafluoro-2-propanol
CID 13350568
1,1,2,2-Tetrafluoroethan-1-ol
CID 14529362
3-Pentafluoropropanol
CID 19006646
1,1,2,2,3,3,4-Heptafluorobutan-1-OL
CID 19037094
Pentafluoro isopropanol
CID 21645339
1,1,3,3-Tetrafluoropropan-1-ol
CID 17763161
1,1,3-Trifluoropropan-1-ol
CID 18319092
1,1,2,2,3,3,4,4-Octafluorobutan-1-ol
CID 18457462

Frequently Asked Questions

What is the IUPAC name of Pentafluoropropanol?
The IUPAC name of Pentafluoropropanol (CID 168785) is 1,1,2,2,3-pentafluoropropan-1-ol.
What is the SMILES notation for Pentafluoropropanol?
The canonical SMILES for Pentafluoropropanol is C(C(C(O)(F)F)(F)F)F.
What is the InChIKey of Pentafluoropropanol?
The InChIKey is COWKRCCNQSQUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O/c4-1-2(5,6)3(7,8)9/h9H,1H2.
What are the key properties of Pentafluoropropanol?
Pentafluoropropanol has a molecular weight of 150.05 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Pentafluoropropanol is sourced from PubChem (CID 168785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).