2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol

C6H8F3IO — CID 155043346

IUPAC2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESOC(CI)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3IO/c7-6(8,9)5(1-2-5)4(11)3-10/h4,11H,1-3H2
InChIKeyHWEAQXDXAMLIPF-UHFFFAOYSA-N
MW280.03 g/mol
LogP2.12
Rot. Bonds2

About 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol

2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol (PubChem CID 155043346) has the molecular formula C6H8F3IO and a molecular weight of 280.03 g/mol. Its IUPAC name is 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol
PubChem CID155043346
Molecular FormulaC6H8F3IO
Molecular Weight280.03 g/mol
Exact Mass279.96
IUPAC Name2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESOC(CI)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3IO/c7-6(8,9)5(1-2-5)4(11)3-10/h4,11H,1-3H2
InChIKeyHWEAQXDXAMLIPF-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.03
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol
CID 139389456
1-butan-2-yl-1-(trifluoromethyl)cyclopropane
CID 146393264
2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 134399523
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
CID 103448224
3-oxo-2-[1-(trifluoromethyl)cyclopropyl]propanenitrile
CID 151448319
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
1-amino-2,2-difluoro-2-iodoethanol
CID 146752518
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569
1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
CID 115808726

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The IUPAC name of 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol (CID 155043346) is 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol is OC(CI)C1(C(F)(F)F)CC1.
What is the InChIKey of 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The InChIKey is HWEAQXDXAMLIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3IO/c7-6(8,9)5(1-2-5)4(11)3-10/h4,11H,1-3H2.
What are the key properties of 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol?
2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol has a molecular weight of 280.03 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol is sourced from PubChem (CID 155043346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).