[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol

C8H13F3O2 — CID 131057764

IUPAC[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
SMILESOCC1(CC(F)(F)F)CCCOC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)4-7(5-12)2-1-3-13-6-7/h12H,1-6H2
InChIKeyGHVQRKVXIMRJAO-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.73
Rot. Bonds2

About [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol

[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol (PubChem CID 131057764) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
PubChem CID131057764
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
SMILESOCC1(CC(F)(F)F)CCCOC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)4-7(5-12)2-1-3-13-6-7/h12H,1-6H2
InChIKeyGHVQRKVXIMRJAO-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2,2-trifluoroethyl)cyclopentyl]methanol
CID 131010290
3-(2,2,2-trifluoroethyl)oxan-3-amine
CID 105440417
(3-octyloxan-3-yl)methanol
CID 66058603
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol
CID 114279551
[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol?
The IUPAC name of [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol (CID 131057764) is [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol.
What is the SMILES notation for [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol?
The canonical SMILES for [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol is OCC1(CC(F)(F)F)CCCOC1.
What is the InChIKey of [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol?
The InChIKey is GHVQRKVXIMRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c9-8(10,11)4-7(5-12)2-1-3-13-6-7/h12H,1-6H2.
What are the key properties of [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol?
[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol has a molecular weight of 198.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol is sourced from PubChem (CID 131057764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).