1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol

C10H6F8O — CID 14401239

IUPAC1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
SMILESOC(c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19,9(13,14)15)6-4-2-1-3-5-6/h1-5,19H
InChIKeyQPOARGCUMONALD-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.63
Rot. Bonds2

About 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol

1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol (PubChem CID 14401239) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
PubChem CID14401239
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
SMILESOC(c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19,9(13,14)15)6-4-2-1-3-5-6/h1-5,19H
InChIKeyQPOARGCUMONALD-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
CID 10520428
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
CID 151590259
4,4-dimethyl-2,3-diphenylpentane-2,3-diol
CID 174973746
(3R)-1,1,1,2,2-pentafluoro-3-phenylhexa-4,5-dien-3-ol
CID 118988098
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane
CID 87504522
N-[4-(1,1,1,3,3,4,4,5,5,5-decafluoro-2-hydroxypentan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776340
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol?
The IUPAC name of 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol (CID 14401239) is 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol.
What is the SMILES notation for 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol?
The canonical SMILES for 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol is OC(c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol?
The InChIKey is QPOARGCUMONALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19,9(13,14)15)6-4-2-1-3-5-6/h1-5,19H.
What are the key properties of 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol?
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol has a molecular weight of 294.14 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol is sourced from PubChem (CID 14401239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).