4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol

C10H6F8O — CID 115808677

IUPAC4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H6F8O/c11-5-4(3(19)1-2-10(16,17)18)6(12)8(14)9(15)7(5)13/h3,19H,1-2H2
InChIKeyPOYPSWXUSFYERN-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.76
Rot. Bonds3

About 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol

4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol (PubChem CID 115808677) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
PubChem CID115808677
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H6F8O/c11-5-4(3(19)1-2-10(16,17)18)6(12)8(14)9(15)7(5)13/h3,19H,1-2H2
InChIKeyPOYPSWXUSFYERN-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diol
CID 101111966
(1R,3S)-3-amino-4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
CID 171236922
1-(2,3,4,5,6-pentafluorophenyl)but-3-yn-1-ol
CID 115839977
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
4,4,4-trifluoro-1-(2-methylsulfanylphenyl)butan-1-ol
CID 115808769
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
(1S,3S)-3-amino-4,4-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-ol;hydrochloride
CID 171237075
4,4,4-trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
CID 10684746
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol (CID 115808677) is 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol is OC(CCC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol?
The InChIKey is POYPSWXUSFYERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O/c11-5-4(3(19)1-2-10(16,17)18)6(12)8(14)9(15)7(5)13/h3,19H,1-2H2.
What are the key properties of 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol?
4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol has a molecular weight of 294.14 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol is sourced from PubChem (CID 115808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).