(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene

C9H10Cl2F2 — CID 640444

IUPAC(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)C[C@]2(Cl)C(F)(F)[C@]2(Cl)C1
InChIInChI=1S/C9H10Cl2F2/c1-5-3-7(10)8(11,4-6(5)2)9(7,12)13/h3-4H2,1-2H3/t7-,8+
InChIKeyYGJSUTAXQYCQMI-OCAPTIKFSA-N
MW227.08 g/mol
LogP3.72
Rot. Bonds

About (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene

(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene (PubChem CID 640444) has the molecular formula C9H10Cl2F2 and a molecular weight of 227.08 g/mol. Its IUPAC name is (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene
PubChem CID640444
Molecular FormulaC9H10Cl2F2
Molecular Weight227.08 g/mol
Exact Mass226.01
IUPAC Name(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)C[C@]2(Cl)C(F)(F)[C@]2(Cl)C1
InChIInChI=1S/C9H10Cl2F2/c1-5-3-7(10)8(11,4-6(5)2)9(7,12)13/h3-4H2,1-2H3/t7-,8+
InChIKeyYGJSUTAXQYCQMI-OCAPTIKFSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.08
LogP ≤ 53.72
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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Related Compounds

4,4-dichloro-1,2-dimethylcyclopentene
CID 13433963
ethane;1,2,4,4-tetramethylcyclopentene
CID 144931776
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene
CID 141130315
4-ethylidene-1,1,2,2-tetrafluorocyclopentane
CID 146987634
(1R,2R)-4,5-dimethyl-1,2-bis(trifluoromethyl)cyclohex-4-ene-1,2-dicarbonitrile
CID 7203615
1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
CID 141455516
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
3,3-difluoro-1,2-dimethylcyclopentene
CID 134254541
3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrotelluropyran
CID 15519415
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene (CID 640444) is (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene is CC1=C(C)C[C@]2(Cl)C(F)(F)[C@]2(Cl)C1.
What is the InChIKey of (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene?
The InChIKey is YGJSUTAXQYCQMI-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H10Cl2F2/c1-5-3-7(10)8(11,4-6(5)2)9(7,12)13/h3-4H2,1-2H3/t7-,8+.
What are the key properties of (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene?
(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene has a molecular weight of 227.08 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 640444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).