1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol

C10H5F9O — CID 18352095

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F9O/c11-8(12,13)6-4-2-1-3-5(6)7(20,9(14,15)16)10(17,18)19/h1-4,20H
InChIKeyYBJYAJAISDXJLR-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.02
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 18352095) has the molecular formula C10H5F9O and a molecular weight of 312.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID18352095
Molecular FormulaC10H5F9O
Molecular Weight312.13 g/mol
Exact Mass312.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F9O/c11-8(12,13)6-4-2-1-3-5(6)7(20,9(14,15)16)10(17,18)19/h1-4,20H
InChIKeyYBJYAJAISDXJLR-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
CID 134882623
1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
CID 71761886
2-(trifluoromethyl)phenol
CID 162212145
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
CID 133060408
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
2-[2,3-diamino-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59552294
ethane;2-(trifluoromethyl)phenol
CID 142291947
3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 105492277

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol (CID 18352095) is 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol is OC(c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is YBJYAJAISDXJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F9O/c11-8(12,13)6-4-2-1-3-5(6)7(20,9(14,15)16)10(17,18)19/h1-4,20H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 312.13 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 18352095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).