1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene

C13H12F4 — CID 169282440

IUPAC1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene
SMILESC[C@]1(c2c(F)c(F)cc(F)c2F)C=CCCC1
InChIInChI=1S/C13H12F4/c1-13(5-3-2-4-6-13)10-11(16)8(14)7-9(15)12(10)17/h3,5,7H,2,4,6H2,1H3/t13-/m0/s1
InChIKeyUDEKGJDHCMUTDJ-ZDUSSCGKSA-N
MW244.23 g/mol
LogP4.24
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene

1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene (PubChem CID 169282440) has the molecular formula C13H12F4 and a molecular weight of 244.23 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene
PubChem CID169282440
Molecular FormulaC13H12F4
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene
SMILESC[C@]1(c2c(F)c(F)cc(F)c2F)C=CCCC1
InChIInChI=1S/C13H12F4/c1-13(5-3-2-4-6-13)10-11(16)8(14)7-9(15)12(10)17/h3,5,7H,2,4,6H2,1H3/t13-/m0/s1
InChIKeyUDEKGJDHCMUTDJ-ZDUSSCGKSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene (CID 169282440) is 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene is C[C@]1(c2c(F)c(F)cc(F)c2F)C=CCCC1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene?
The InChIKey is UDEKGJDHCMUTDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12F4/c1-13(5-3-2-4-6-13)10-11(16)8(14)7-9(15)12(10)17/h3,5,7H,2,4,6H2,1H3/t13-/m0/s1.
What are the key properties of 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene?
1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene has a molecular weight of 244.23 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 169282440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).