3-(trifluoromethyl)pentane-1,5-diol

C6H11F3O2 — CID 18968687

IUPAC3-(trifluoromethyl)pentane-1,5-diol
SMILESOCCC(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)5(1-3-10)2-4-11/h5,10-11H,1-4H2
InChIKeyRLROJFITVNGKHL-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.93
Rot. Bonds4

About 3-(trifluoromethyl)pentane-1,5-diol

3-(trifluoromethyl)pentane-1,5-diol (PubChem CID 18968687) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(trifluoromethyl)pentane-1,5-diol
PubChem CID18968687
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name3-(trifluoromethyl)pentane-1,5-diol
SMILESOCCC(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)5(1-3-10)2-4-11/h5,10-11H,1-4H2
InChIKeyRLROJFITVNGKHL-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Heptafluoropropyl)pentane-1,5-diol
CID 71367627
rac-[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol
CID 15524948
2,2-Difluoro-2-(oxan-4-yl)ethan-1-ol
CID 89613364
2-Ethyl-4,4,4-trifluorobutan-1-ol
CID 86001735
5,5,5-Trifluoro-3-methyl-1-pentanol
CID 23273440
2-Ethyl-3,3-difluorobutan-1-ol
CID 139023981
2-Ethyl-4,4-difluorobutan-1-ol
CID 122163520
3,3-Difluoro-1,5-pentanediol
CID 14451061
2-(3,3,3-Trifluoropropyl)propane-1,3-diol
CID 14985211
3-(1,1,2,2,3,3-Hexafluoropropyl)pentane-1,5-diol
CID 19986901
[2,2-Difluoro-3-(hydroxymethyl)cyclopropyl]methanol
CID 21044034
[(1R,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methanol
CID 58682752

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pentane-1,5-diol?
The IUPAC name of 3-(trifluoromethyl)pentane-1,5-diol (CID 18968687) is 3-(trifluoromethyl)pentane-1,5-diol.
What is the SMILES notation for 3-(trifluoromethyl)pentane-1,5-diol?
The canonical SMILES for 3-(trifluoromethyl)pentane-1,5-diol is OCCC(CCO)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pentane-1,5-diol?
The InChIKey is RLROJFITVNGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c7-6(8,9)5(1-3-10)2-4-11/h5,10-11H,1-4H2.
What are the key properties of 3-(trifluoromethyl)pentane-1,5-diol?
3-(trifluoromethyl)pentane-1,5-diol has a molecular weight of 172.15 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pentane-1,5-diol is sourced from PubChem (CID 18968687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).