[2-(trifluoromethyl)oxolan-3-yl]methanol

C6H9F3O2 — CID 102568029

IUPAC[2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESOCC1CCOC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5-4(3-10)1-2-11-5/h4-5,10H,1-3H2
InChIKeyWWOIRWKNGJBNCS-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.95
Rot. Bonds1

About [2-(trifluoromethyl)oxolan-3-yl]methanol

[2-(trifluoromethyl)oxolan-3-yl]methanol (PubChem CID 102568029) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is [2-(trifluoromethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)oxolan-3-yl]methanol
PubChem CID102568029
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name[2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESOCC1CCOC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5-4(3-10)1-2-11-5/h4-5,10H,1-3H2
InChIKeyWWOIRWKNGJBNCS-UHFFFAOYSA-N
XLogP0.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Methyloxolan-3-yl)methanol
CID 13487335
1-(Oxolan-3-yl)ethan-1-ol
CID 59594973
2,2,2-Trifluoro-1-(oxolan-3-yl)ethan-1-ol
CID 61645213
(1S)-1-(oxolan-3-yl)ethan-1-ol
CID 65329030
(1R)-1-(oxolan-3-yl)ethan-1-ol
CID 73994809
(4,4-Difluorooxolan-3-yl)methanol
CID 105427956
2,2-Difluoro-1-(oxolan-3-yl)ethan-1-ol
CID 80604390
CID 58450216
CID 58450216
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 62390560
3-(2,2,2-Trifluoro-1-methoxyethyl)oxolane
CID 68230069
2,2-Difluoro-1-(oxan-4-yl)ethan-1-ol
CID 80605688
(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 89065986

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)oxolan-3-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)oxolan-3-yl]methanol (CID 102568029) is [2-(trifluoromethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)oxolan-3-yl]methanol is OCC1CCOC1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)oxolan-3-yl]methanol?
The InChIKey is WWOIRWKNGJBNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)5-4(3-10)1-2-11-5/h4-5,10H,1-3H2.
What are the key properties of [2-(trifluoromethyl)oxolan-3-yl]methanol?
[2-(trifluoromethyl)oxolan-3-yl]methanol has a molecular weight of 170.13 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 102568029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).