3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol

C10H9F5O — CID 156764178

IUPAC3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol
SMILESOC(CC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F5O/c11-9(12,10(13,14)15)6-8(16)7-4-2-1-3-5-7/h1-5,8,16H,6H2
InChIKeyHSZAISVUQJTLRP-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.31
Rot. Bonds3

About 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol

3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol (PubChem CID 156764178) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol
PubChem CID156764178
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol
SMILESOC(CC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F5O/c11-9(12,10(13,14)15)6-8(16)7-4-2-1-3-5-7/h1-5,8,16H,6H2
InChIKeyHSZAISVUQJTLRP-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl Alcohol
CID 244
2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Mandelonitrile
CID 10758
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
3-Methylbenzyl alcohol
CID 11476
1-Phenylethanol, (S)-
CID 443135

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol?
The IUPAC name of 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol (CID 156764178) is 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol?
The canonical SMILES for 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol is OC(CC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol?
The InChIKey is HSZAISVUQJTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c11-9(12,10(13,14)15)6-8(16)7-4-2-1-3-5-7/h1-5,8,16H,6H2.
What are the key properties of 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol?
3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol has a molecular weight of 240.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-1-phenylbutan-1-ol is sourced from PubChem (CID 156764178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).