[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol

C6H7Cl2F3O — CID 19898043

IUPAC[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
SMILESCC1(C(F)(F)F)C(CO)C1(Cl)Cl
InChIInChI=1S/C6H7Cl2F3O/c1-4(6(9,10)11)3(2-12)5(4,7)8/h3,12H,2H2,1H3
InChIKeyKQFGMDAKEQPZNO-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.35
Rot. Bonds1

About [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol

[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 19898043) has the molecular formula C6H7Cl2F3O and a molecular weight of 223.02 g/mol. Its IUPAC name is [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
PubChem CID19898043
Molecular FormulaC6H7Cl2F3O
Molecular Weight223.02 g/mol
Exact Mass221.98
IUPAC Name[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
SMILESCC1(C(F)(F)F)C(CO)C1(Cl)Cl
InChIInChI=1S/C6H7Cl2F3O/c1-4(6(9,10)11)3(2-12)5(4,7)8/h3,12H,2H2,1H3
InChIKeyKQFGMDAKEQPZNO-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol (CID 19898043) is [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol is CC1(C(F)(F)F)C(CO)C1(Cl)Cl.
What is the InChIKey of [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is KQFGMDAKEQPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2F3O/c1-4(6(9,10)11)3(2-12)5(4,7)8/h3,12H,2H2,1H3.
What are the key properties of [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
[2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 223.02 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 19898043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).