2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol

C11H13F3O — CID 63718158

IUPAC2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
SMILESCCC(C)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3O/c1-3-6(2)11(15)7-4-5-8(12)10(14)9(7)13/h4-6,11,15H,3H2,1-2H3
InChIKeyFDCHYJFTSFDNDX-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol

2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol (PubChem CID 63718158) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
PubChem CID63718158
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
SMILESCCC(C)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3O/c1-3-6(2)11(15)7-4-5-8(12)10(14)9(7)13/h4-6,11,15H,3H2,1-2H3
InChIKeyFDCHYJFTSFDNDX-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.18
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-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 79616894
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-ol
CID 116711321
(1S,2R)-1-amino-1-(2,3,4-trifluorophenyl)butan-2-ol
CID 131568050
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
CID 62964280
5-methyl-1-(2,3,4-trifluorophenyl)hexan-1-ol
CID 115829925
ethyl 3-methyl-2-(2,3,4-trifluorophenyl)butanoate
CID 62963748
S-[2,3-dihydroxy-3-(2,3,4-trifluorophenyl)propyl] ethanethioate
CID 170821756
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871
methyl 3-(2,3,4-trifluorophenyl)butanoate
CID 171372839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The IUPAC name of 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol (CID 63718158) is 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol is CCC(C)C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The InChIKey is FDCHYJFTSFDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-6(2)11(15)7-4-5-8(12)10(14)9(7)13/h4-6,11,15H,3H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol has a molecular weight of 218.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol is sourced from PubChem (CID 63718158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).