[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol

C7H9Cl2F3O — CID 54171732

IUPAC[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol
SMILESC[C@@]1(CC(F)(F)F)[C@@H](CO)C1(Cl)Cl
InChIInChI=1S/C7H9Cl2F3O/c1-5(3-6(10,11)12)4(2-13)7(5,8)9/h4,13H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyOVMVJDUTEDXNNR-RFZPGFLSSA-N
MW237.05 g/mol
LogP2.74
Rot. Bonds2

About [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol

[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol (PubChem CID 54171732) has the molecular formula C7H9Cl2F3O and a molecular weight of 237.05 g/mol. Its IUPAC name is [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol
PubChem CID54171732
Molecular FormulaC7H9Cl2F3O
Molecular Weight237.05 g/mol
Exact Mass236.00
IUPAC Name[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol
SMILESC[C@@]1(CC(F)(F)F)[C@@H](CO)C1(Cl)Cl
InChIInChI=1S/C7H9Cl2F3O/c1-5(3-6(10,11)12)4(2-13)7(5,8)9/h4,13H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyOVMVJDUTEDXNNR-RFZPGFLSSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.74
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 [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The IUPAC name of [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol (CID 54171732) is [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol is C[C@@]1(CC(F)(F)F)[C@@H](CO)C1(Cl)Cl.
What is the InChIKey of [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The InChIKey is OVMVJDUTEDXNNR-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H9Cl2F3O/c1-5(3-6(10,11)12)4(2-13)7(5,8)9/h4,13H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol has a molecular weight of 237.05 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol is sourced from PubChem (CID 54171732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).