[4-(trifluoromethyl)oxan-4-yl]methanol

C7H11F3O2 — CID 121208295

IUPAC[4-(trifluoromethyl)oxan-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(5-11)1-3-12-4-2-6/h11H,1-5H2
InChIKeyCGTHJIQAKPKPDH-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.34
Rot. Bonds1

About [4-(trifluoromethyl)oxan-4-yl]methanol

[4-(trifluoromethyl)oxan-4-yl]methanol (PubChem CID 121208295) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is [4-(trifluoromethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)oxan-4-yl]methanol
PubChem CID121208295
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name[4-(trifluoromethyl)oxan-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(5-11)1-3-12-4-2-6/h11H,1-5H2
InChIKeyCGTHJIQAKPKPDH-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)oxan-4-yl]methanol (CID 121208295) is [4-(trifluoromethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)oxan-4-yl]methanol is OCC1(C(F)(F)F)CCOCC1.
What is the InChIKey of [4-(trifluoromethyl)oxan-4-yl]methanol?
The InChIKey is CGTHJIQAKPKPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)6(5-11)1-3-12-4-2-6/h11H,1-5H2.
What are the key properties of [4-(trifluoromethyl)oxan-4-yl]methanol?
[4-(trifluoromethyl)oxan-4-yl]methanol has a molecular weight of 184.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)oxan-4-yl]methanol is sourced from PubChem (CID 121208295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).