1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol

C8H10F6O2 — CID 89068349

IUPAC1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
SMILESOC(C1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-16-5/h5,15H,1-4H2
InChIKeyIGLXGGGDUPUPAH-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.41
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol (PubChem CID 89068349) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
PubChem CID89068349
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
SMILESOC(C1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-16-5/h5,15H,1-4H2
InChIKeyIGLXGGGDUPUPAH-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
(2S)-2-tert-butyloxane
CID 118633229
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
1-(1-chloroethoxy)-1-(oxan-2-yl)ethanol
CID 20523019
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
CID 124670962
3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
CID 59741487
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol (CID 89068349) is 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol is OC(C1CCCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol?
The InChIKey is IGLXGGGDUPUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-16-5/h5,15H,1-4H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol has a molecular weight of 252.15 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol is sourced from PubChem (CID 89068349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).