(3R)-4-(chloromethyl)-3,5-difluorocyclohexene

C7H9ClF2 — CID 89203561

IUPAC(3R)-4-(chloromethyl)-3,5-difluorocyclohexene
SMILESFC1CC=C[C@@H](F)C1CCl
InChIInChI=1S/C7H9ClF2/c8-4-5-6(9)2-1-3-7(5)10/h1-2,5-7H,3-4H2/t5?,6-,7?/m1/s1
InChIKeyNHTVMOHMMQCZRV-YURFNIAASA-N
MW166.60 g/mol
LogP2.48
Rot. Bonds1

About (3R)-4-(chloromethyl)-3,5-difluorocyclohexene

(3R)-4-(chloromethyl)-3,5-difluorocyclohexene (PubChem CID 89203561) has the molecular formula C7H9ClF2 and a molecular weight of 166.60 g/mol. Its IUPAC name is (3R)-4-(chloromethyl)-3,5-difluorocyclohexene.

Molecular Properties

Compound Name(3R)-4-(chloromethyl)-3,5-difluorocyclohexene
PubChem CID89203561
Molecular FormulaC7H9ClF2
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(3R)-4-(chloromethyl)-3,5-difluorocyclohexene
SMILESFC1CC=C[C@@H](F)C1CCl
InChIInChI=1S/C7H9ClF2/c8-4-5-6(9)2-1-3-7(5)10/h1-2,5-7H,3-4H2/t5?,6-,7?/m1/s1
InChIKeyNHTVMOHMMQCZRV-YURFNIAASA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 52.48
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)-4-(chloromethyl)-3,5-difluorocyclohexene?
The IUPAC name of (3R)-4-(chloromethyl)-3,5-difluorocyclohexene (CID 89203561) is (3R)-4-(chloromethyl)-3,5-difluorocyclohexene.
What is the SMILES notation for (3R)-4-(chloromethyl)-3,5-difluorocyclohexene?
The canonical SMILES for (3R)-4-(chloromethyl)-3,5-difluorocyclohexene is FC1CC=C[C@@H](F)C1CCl.
What is the InChIKey of (3R)-4-(chloromethyl)-3,5-difluorocyclohexene?
The InChIKey is NHTVMOHMMQCZRV-YURFNIAASA-N. The full InChI is InChI=1S/C7H9ClF2/c8-4-5-6(9)2-1-3-7(5)10/h1-2,5-7H,3-4H2/t5?,6-,7?/m1/s1.
What are the key properties of (3R)-4-(chloromethyl)-3,5-difluorocyclohexene?
(3R)-4-(chloromethyl)-3,5-difluorocyclohexene has a molecular weight of 166.60 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(chloromethyl)-3,5-difluorocyclohexene is sourced from PubChem (CID 89203561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).