(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane

C5H7Cl2F — CID 125117297

IUPAC(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane
SMILESF[C@H]1CC1(CCl)CCl
InChIInChI=1S/C5H7Cl2F/c6-2-5(3-7)1-4(5)8/h4H,1-3H2/t4-/m0/s1
InChIKeyXAQZASWTXAUKEG-BYPYZUCNSA-N
MW157.01 g/mol
LogP2.19
Rot. Bonds2

About (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane

(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane (PubChem CID 125117297) has the molecular formula C5H7Cl2F and a molecular weight of 157.01 g/mol. Its IUPAC name is (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane.

Molecular Properties

Compound Name(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane
PubChem CID125117297
Molecular FormulaC5H7Cl2F
Molecular Weight157.01 g/mol
Exact Mass155.99
IUPAC Name(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane
SMILESF[C@H]1CC1(CCl)CCl
InChIInChI=1S/C5H7Cl2F/c6-2-5(3-7)1-4(5)8/h4H,1-3H2/t4-/m0/s1
InChIKeyXAQZASWTXAUKEG-BYPYZUCNSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.01
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane?
The IUPAC name of (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane (CID 125117297) is (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane.
What is the SMILES notation for (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane?
The canonical SMILES for (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane is F[C@H]1CC1(CCl)CCl.
What is the InChIKey of (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane?
The InChIKey is XAQZASWTXAUKEG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7Cl2F/c6-2-5(3-7)1-4(5)8/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane?
(2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane has a molecular weight of 157.01 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-bis(chloromethyl)-2-fluorocyclopropane is sourced from PubChem (CID 125117297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).