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

C6H7Cl2F3O — CID 54007933

IUPAC[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
SMILESC[C@@]1(C(F)(F)F)[C@@H](CO)C1(Cl)Cl
InChIInChI=1S/C6H7Cl2F3O/c1-4(6(9,10)11)3(2-12)5(4,7)8/h3,12H,2H2,1H3/t3-,4-/m1/s1
InChIKeyKQFGMDAKEQPZNO-QWWZWVQMSA-N
MW223.02 g/mol
LogP2.35
Rot. Bonds1

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

[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 54007933) has the molecular formula C6H7Cl2F3O and a molecular weight of 223.02 g/mol. Its IUPAC name is [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
PubChem CID54007933
Molecular FormulaC6H7Cl2F3O
Molecular Weight223.02 g/mol
Exact Mass221.98
IUPAC Name[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
SMILESC[C@@]1(C(F)(F)F)[C@@H](CO)C1(Cl)Cl
InChIInChI=1S/C6H7Cl2F3O/c1-4(6(9,10)11)3(2-12)5(4,7)8/h3,12H,2H2,1H3/t3-,4-/m1/s1
InChIKeyKQFGMDAKEQPZNO-QWWZWVQMSA-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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Related Compounds

(2,2-Dichloro-3,3-dimethylcyclopropyl)methanol
CID 12604182
[2,2-Dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
CID 19898043
[2,2-Dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol
CID 19898051
[(1S,3R)-2,2-dichloro-3-methyl-3-(2,2,2-trifluoroethyl)cyclopropyl]methanol
CID 54171732
[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
CID 23234316
[(1S,2R,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
CID 23234317
[(1R,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
CID 23234318
[(1R,2R,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
CID 23234319
(2,2-Dichloro-1,3-dimethylcyclopropyl)methanol
CID 13475226
(2,2-Dichloro-1,3,3-trimethylcyclopropyl)methanol
CID 14074811
[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol
CID 70490537
[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]methanol
CID 131156052

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol (CID 54007933) is [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol is C[C@@]1(C(F)(F)F)[C@@H](CO)C1(Cl)Cl.
What is the InChIKey of [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is KQFGMDAKEQPZNO-QWWZWVQMSA-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/t3-,4-/m1/s1.
What are the key properties of [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol?
[(1S,3S)-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 [(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 54007933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).