4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol

C10H10F3IO — CID 156763954

IUPAC4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccccc1I
InChIInChI=1S/C10H10F3IO/c1-9(15,6-10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15H,6H2,1H3
InChIKeyNUNSJQJJKOFVRO-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.45
Rot. Bonds2

About 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol

4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol (PubChem CID 156763954) has the molecular formula C10H10F3IO and a molecular weight of 330.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
PubChem CID156763954
Molecular FormulaC10H10F3IO
Molecular Weight330.09 g/mol
Exact Mass329.97
IUPAC Name4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccccc1I
InChIInChI=1S/C10H10F3IO/c1-9(15,6-10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15H,6H2,1H3
InChIKeyNUNSJQJJKOFVRO-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.45
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

4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
[2-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl] acetate
CID 156765059
1-tert-butyl-2-iodobenzene
CID 637957
2-(2-iodophenyl)propan-2-olate
CID 140938486
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
CID 11974474
2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
CID 156763097
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
tert-butyl 2-(2-iodophenyl)-2-methylpropanoate
CID 54286755
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
1-iodo-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765217

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol (CID 156763954) is 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol is CC(O)(CC(F)(F)F)c1ccccc1I.
What is the InChIKey of 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol?
The InChIKey is NUNSJQJJKOFVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO/c1-9(15,6-10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15H,6H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol?
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol has a molecular weight of 330.09 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol is sourced from PubChem (CID 156763954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).