2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol

C10H11F3O — CID 130597949

IUPAC2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
SMILESCC(C)C(O)c1cc(F)cc(F)c1F
InChIInChI=1S/C10H11F3O/c1-5(2)10(14)7-3-6(11)4-8(12)9(7)13/h3-5,10,14H,1-2H3
InChIKeyQOCLDHOZCKYVFR-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol

2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol (PubChem CID 130597949) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
PubChem CID130597949
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
SMILESCC(C)C(O)c1cc(F)cc(F)c1F
InChIInChI=1S/C10H11F3O/c1-5(2)10(14)7-3-6(11)4-8(12)9(7)13/h3-5,10,14H,1-2H3
InChIKeyQOCLDHOZCKYVFR-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
(1S,2R)-1-amino-5-methyl-1-(2,3,5-trifluorophenyl)hexan-2-ol;hydrochloride
CID 171268190
(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol
CID 167267153
[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol
CID 174883723
1-(2,3,5-trifluorophenoxy)ethanol
CID 143423169
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol (CID 130597949) is 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol is CC(C)C(O)c1cc(F)cc(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol?
The InChIKey is QOCLDHOZCKYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-5(2)10(14)7-3-6(11)4-8(12)9(7)13/h3-5,10,14H,1-2H3.
What are the key properties of 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol?
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 130597949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).