ethane;2-(3,4,5-trifluorophenyl)propan-1-ol

C13H21F3O — CID 143774717

IUPACethane;2-(3,4,5-trifluorophenyl)propan-1-ol
SMILESCC.CC.CC(CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3O.2C2H6/c1-5(4-13)6-2-7(10)9(12)8(11)3-6;2*1-2/h2-3,5,13H,4H2,1H3;2*1-2H3
InChIKeyQEYUKXKABMLFDL-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.25
Rot. Bonds2

About ethane;2-(3,4,5-trifluorophenyl)propan-1-ol

ethane;2-(3,4,5-trifluorophenyl)propan-1-ol (PubChem CID 143774717) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is ethane;2-(3,4,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Nameethane;2-(3,4,5-trifluorophenyl)propan-1-ol
PubChem CID143774717
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Nameethane;2-(3,4,5-trifluorophenyl)propan-1-ol
SMILESCC.CC.CC(CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3O.2C2H6/c1-5(4-13)6-2-7(10)9(12)8(11)3-6;2*1-2/h2-3,5,13H,4H2,1H3;2*1-2H3
InChIKeyQEYUKXKABMLFDL-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
CID 117307716
4-methyl-2-(3,4,5-trifluorophenyl)pentan-1-ol
CID 143774737
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene
CID 90465484
2-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303183
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3,4,5-trifluorophenyl)propan-1-ol?
The IUPAC name of ethane;2-(3,4,5-trifluorophenyl)propan-1-ol (CID 143774717) is ethane;2-(3,4,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for ethane;2-(3,4,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for ethane;2-(3,4,5-trifluorophenyl)propan-1-ol is CC.CC.CC(CO)c1cc(F)c(F)c(F)c1.
What is the InChIKey of ethane;2-(3,4,5-trifluorophenyl)propan-1-ol?
The InChIKey is QEYUKXKABMLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O.2C2H6/c1-5(4-13)6-2-7(10)9(12)8(11)3-6;2*1-2/h2-3,5,13H,4H2,1H3;2*1-2H3.
What are the key properties of ethane;2-(3,4,5-trifluorophenyl)propan-1-ol?
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol has a molecular weight of 250.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3,4,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 143774717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).