(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane

C7H9ClF2 — CID 134970490

IUPAC(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane
SMILESCC=CCC1[C@@H](Cl)C1(F)F
InChIInChI=1S/C7H9ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3,5-6H,4H2,1H3/t5?,6-/m1/s1
InChIKeyGMXAJTUYWOHESN-PRJDIBJQSA-N
MW166.60 g/mol
LogP2.83
Rot. Bonds2

About (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane

(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane (PubChem CID 134970490) has the molecular formula C7H9ClF2 and a molecular weight of 166.60 g/mol. Its IUPAC name is (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane.

Molecular Properties

Compound Name(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane
PubChem CID134970490
Molecular FormulaC7H9ClF2
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane
SMILESCC=CCC1[C@@H](Cl)C1(F)F
InChIInChI=1S/C7H9ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3,5-6H,4H2,1H3/t5?,6-/m1/s1
InChIKeyGMXAJTUYWOHESN-PRJDIBJQSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane?
The IUPAC name of (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane (CID 134970490) is (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane.
What is the SMILES notation for (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane?
The canonical SMILES for (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane is CC=CCC1[C@@H](Cl)C1(F)F.
What is the InChIKey of (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane?
The InChIKey is GMXAJTUYWOHESN-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H9ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3,5-6H,4H2,1H3/t5?,6-/m1/s1.
What are the key properties of (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane?
(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane has a molecular weight of 166.60 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane is sourced from PubChem (CID 134970490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).