2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol

C6H8F6O2 — CID 175979976

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
SMILESCC(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-3(2-13)14-4(5(7,8)9)6(10,11)12/h3-4,13H,2H2,1H3
InChIKeyNBSVODZBXNRQCE-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.88
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol (PubChem CID 175979976) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
PubChem CID175979976
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
SMILESCC(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-3(2-13)14-4(5(7,8)9)6(10,11)12/h3-4,13H,2H2,1H3
InChIKeyNBSVODZBXNRQCE-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
CID 86050515
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
2-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol
CID 57156447
(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
CID 88612576
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
CID 149237308
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
CID 162612061

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol (CID 175979976) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol is CC(CO)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol?
The InChIKey is NBSVODZBXNRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-3(2-13)14-4(5(7,8)9)6(10,11)12/h3-4,13H,2H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol has a molecular weight of 226.12 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol is sourced from PubChem (CID 175979976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).