[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol

C6H10ClFO — CID 23234316

IUPAC[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
SMILESC[C@@H]1[C@](F)(Cl)[C@]1(C)CO
InChIInChI=1S/C6H10ClFO/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyZHVTWJMOKSMBNC-KVQBGUIXSA-N
MW152.60 g/mol
LogP1.54
Rot. Bonds1

About [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol

[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol (PubChem CID 23234316) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
PubChem CID23234316
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol
SMILESC[C@@H]1[C@](F)(Cl)[C@]1(C)CO
InChIInChI=1S/C6H10ClFO/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyZHVTWJMOKSMBNC-KVQBGUIXSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.54
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,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol?
The IUPAC name of [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol (CID 23234316) is [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol is C[C@@H]1[C@](F)(Cl)[C@]1(C)CO.
What is the InChIKey of [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol?
The InChIKey is ZHVTWJMOKSMBNC-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H10ClFO/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+,6+/m0/s1.
What are the key properties of [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol?
[(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol has a molecular weight of 152.60 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-chloro-2-fluoro-1,3-dimethylcyclopropyl]methanol is sourced from PubChem (CID 23234316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).