3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol

C8H11F7O2 — CID 71367627

IUPAC3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol
SMILESOCCC(CCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2
InChIKeyUAAOSQWHVBRSMT-UHFFFAOYSA-N
MW272.16 g/mol
LogP2.20
Rot. Bonds6

About 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol

3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol (PubChem CID 71367627) has the molecular formula C8H11F7O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol
PubChem CID71367627
Molecular FormulaC8H11F7O2
Molecular Weight272.16 g/mol
Exact Mass272.06
IUPAC Name3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol
SMILESOCCC(CCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2
InChIKeyUAAOSQWHVBRSMT-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Heptadecafluorooctyl)butane-1,4-diol
CID 2752562
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-heptane-1,7-diol
CID 10073113
7,7,7-Trifluoro-5-(trifluoromethyl)heptan-1-ol
CID 122220978
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-1-ol
CID 2775052
2,2,3,4,4,5,6,6,6-Nonafluoro-3-(trifluoromethyl)hexan-1-ol
CID 11381976
2-Ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol
CID 13442061
3-Trifluoromethyl-1.5-pentanediol
CID 18968687
1-Fluoro-2-(trifluoromethyl)hexan-1-ol
CID 19891369
3-(1,1,2,2,3,3-Hexafluoropropyl)pentane-1,5-diol
CID 19986901
4-(1,1,2,2,3,3-Hexafluoropropyl)octane-1,8-diol
CID 19986903
2-(1,1,2,2,3,3-Hexafluoropropyl)butane-1,4-diol
CID 19986907
2-(1,1,2,2,2-Pentafluoroethyl)hexan-1-ol
CID 20455561

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol?
The IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol (CID 71367627) is 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol.
What is the SMILES notation for 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol?
The canonical SMILES for 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol is OCCC(CCO)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol?
The InChIKey is UAAOSQWHVBRSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2.
What are the key properties of 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol?
3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol has a molecular weight of 272.16 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol is sourced from PubChem (CID 71367627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).