1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol

C10H9F4IO — CID 138561765

IUPAC1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol
SMILESCc1cc(F)c(C(C)(O)C(F)(F)F)cc1I
InChIInChI=1S/C10H9F4IO/c1-5-3-7(11)6(4-8(5)15)9(2,16)10(12,13)14/h3-4,16H,1-2H3
InChIKeyLXYWDIPWPWTCJM-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.51
Rot. Bonds1

About 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol

1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol (PubChem CID 138561765) has the molecular formula C10H9F4IO and a molecular weight of 348.08 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol
PubChem CID138561765
Molecular FormulaC10H9F4IO
Molecular Weight348.08 g/mol
Exact Mass347.96
IUPAC Name1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol
SMILESCc1cc(F)c(C(C)(O)C(F)(F)F)cc1I
InChIInChI=1S/C10H9F4IO/c1-5-3-7(11)6(4-8(5)15)9(2,16)10(12,13)14/h3-4,16H,1-2H3
InChIKeyLXYWDIPWPWTCJM-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
CID 162410657
1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
CID 118176007
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543613
2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 118535521
1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
CID 83949980
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-[2-amino-5-[[4-amino-3-fluoro-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 90180695
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
methyl 5-iodo-4-methyl-2-(trifluoromethyl)benzoate
CID 142587775

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol (CID 138561765) is 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol is Cc1cc(F)c(C(C)(O)C(F)(F)F)cc1I.
What is the InChIKey of 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol?
The InChIKey is LXYWDIPWPWTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4IO/c1-5-3-7(11)6(4-8(5)15)9(2,16)10(12,13)14/h3-4,16H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol has a molecular weight of 348.08 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 138561765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).