4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol

C10H10F3IO — CID 65478092

IUPAC4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
SMILESOC(Cc1ccc(I)cc1)CC(F)(F)F
InChIInChI=1S/C10H10F3IO/c11-10(12,13)6-9(15)5-7-1-3-8(14)4-2-7/h1-4,9,15H,5-6H2
InChIKeyNGBUJIZTNRYGKK-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.15
Rot. Bonds3

About 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol

4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol (PubChem CID 65478092) has the molecular formula C10H10F3IO and a molecular weight of 330.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
PubChem CID65478092
Molecular FormulaC10H10F3IO
Molecular Weight330.09 g/mol
Exact Mass329.97
IUPAC Name4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
SMILESOC(Cc1ccc(I)cc1)CC(F)(F)F
InChIInChI=1S/C10H10F3IO/c11-10(12,13)6-9(15)5-7-1-3-8(14)4-2-7/h1-4,9,15H,5-6H2
InChIKeyNGBUJIZTNRYGKK-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.15
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

1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
1-(4-iodophenyl)pentan-2-ol
CID 65476847
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899378
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79952878
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115911644

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol (CID 65478092) is 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol is OC(Cc1ccc(I)cc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol?
The InChIKey is NGBUJIZTNRYGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO/c11-10(12,13)6-9(15)5-7-1-3-8(14)4-2-7/h1-4,9,15H,5-6H2.
What are the key properties of 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol?
4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol has a molecular weight of 330.09 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol is sourced from PubChem (CID 65478092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).