1,1,2-trichloro-2-cyclopropylethanol

C5H7Cl3O — CID 70252485

IUPAC1,1,2-trichloro-2-cyclopropylethanol
SMILESOC(Cl)(Cl)C(Cl)C1CC1
InChIInChI=1S/C5H7Cl3O/c6-4(3-1-2-3)5(7,8)9/h3-4,9H,1-2H2
InChIKeyUVOXVUUZWCORON-UHFFFAOYSA-N
MW189.47 g/mol
LogP2.13
Rot. Bonds2

About 1,1,2-trichloro-2-cyclopropylethanol

1,1,2-trichloro-2-cyclopropylethanol (PubChem CID 70252485) has the molecular formula C5H7Cl3O and a molecular weight of 189.47 g/mol. Its IUPAC name is 1,1,2-trichloro-2-cyclopropylethanol.

Molecular Properties

Compound Name1,1,2-trichloro-2-cyclopropylethanol
PubChem CID70252485
Molecular FormulaC5H7Cl3O
Molecular Weight189.47 g/mol
Exact Mass187.96
IUPAC Name1,1,2-trichloro-2-cyclopropylethanol
SMILESOC(Cl)(Cl)C(Cl)C1CC1
InChIInChI=1S/C5H7Cl3O/c6-4(3-1-2-3)5(7,8)9/h3-4,9H,1-2H2
InChIKeyUVOXVUUZWCORON-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2-trichloro-2-cyclopropylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2-tetrachloroethanol
CID 18356623
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421
1-amino-1-cyclopropyl-2-methylpropan-2-ol
CID 67125150
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
4-propan-2-ylcyclohexan-1-ol
CID 159817143
(2S)-2-chloro-1,2-dicyclopropylethanone
CID 93494101
1,1-dichloro-2-methylpropan-1-ol;methanol
CID 20560211
(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
CID 118458672
1-chloropropylcyclopropane;methane
CID 174336736
1,1,2,2,3,3,4-heptachlorobutane-1,4-diol
CID 154510246
4-(diiodomethyl)cyclohexan-1-ol
CID 89029318
2,2-dichloro-1-cyclopropyl-2-ethylsulfonylethanol
CID 102550216

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-cyclopropylethanol?
The IUPAC name of 1,1,2-trichloro-2-cyclopropylethanol (CID 70252485) is 1,1,2-trichloro-2-cyclopropylethanol.
What is the SMILES notation for 1,1,2-trichloro-2-cyclopropylethanol?
The canonical SMILES for 1,1,2-trichloro-2-cyclopropylethanol is OC(Cl)(Cl)C(Cl)C1CC1.
What is the InChIKey of 1,1,2-trichloro-2-cyclopropylethanol?
The InChIKey is UVOXVUUZWCORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3O/c6-4(3-1-2-3)5(7,8)9/h3-4,9H,1-2H2.
What are the key properties of 1,1,2-trichloro-2-cyclopropylethanol?
1,1,2-trichloro-2-cyclopropylethanol has a molecular weight of 189.47 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-cyclopropylethanol is sourced from PubChem (CID 70252485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).