1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol

C11H8ClF7O — CID 156763405

IUPAC1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClF7O/c12-7-3-1-2-6(4-7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyGUTWZPBMQZTTCF-UHFFFAOYSA-N
MW324.62 g/mol
LogP4.60
Rot. Bonds4

About 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol

1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol (PubChem CID 156763405) has the molecular formula C11H8ClF7O and a molecular weight of 324.62 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
PubChem CID156763405
Molecular FormulaC11H8ClF7O
Molecular Weight324.62 g/mol
Exact Mass324.02
IUPAC Name1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
SMILESOC(CC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClF7O/c12-7-3-1-2-6(4-7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyGUTWZPBMQZTTCF-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 54.60
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-(3-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156764796
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-(3-propan-2-ylphenyl)octan-1-ol
CID 156765512
1-(3-ethylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763031
3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-(3-methoxyphenyl)heptan-1-ol
CID 156764306
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237874
1-[3-(diethylamino)phenyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763304
1-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-hydroxyoctyl)phenyl]ethanone
CID 156763840
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
methyl 3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-hydroxyheptyl)benzoate
CID 156765834
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-[3-(2-methylpropoxy)phenyl]octan-1-ol
CID 156763018
(3-chlorophenyl)-fluoromethanol
CID 70239224

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol (CID 156763405) is 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol is OC(CC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
The InChIKey is GUTWZPBMQZTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF7O/c12-7-3-1-2-6(4-7)8(20)5-9(13,14)10(15,16)11(17,18)19/h1-4,8,20H,5H2.
What are the key properties of 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol?
1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol has a molecular weight of 324.62 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol is sourced from PubChem (CID 156763405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).