(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene

C9H12F4O — CID 129157060

IUPAC(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene
SMILESCOCC1(C)C(F)C(F)C=C(F)[C@@H]1F
InChIInChI=1S/C9H12F4O/c1-9(4-14-2)7(12)5(10)3-6(11)8(9)13/h3,5,7-8H,4H2,1-2H3/t5?,7?,8-,9?/m0/s1
InChIKeyGPPIKZYWHOYFAO-ZSORZDHZSA-N
MW212.19 g/mol
LogP2.52
Rot. Bonds2

About (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene

(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene (PubChem CID 129157060) has the molecular formula C9H12F4O and a molecular weight of 212.19 g/mol. Its IUPAC name is (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene.

Molecular Properties

Compound Name(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene
PubChem CID129157060
Molecular FormulaC9H12F4O
Molecular Weight212.19 g/mol
Exact Mass212.08
IUPAC Name(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene
SMILESCOCC1(C)C(F)C(F)C=C(F)[C@@H]1F
InChIInChI=1S/C9H12F4O/c1-9(4-14-2)7(12)5(10)3-6(11)8(9)13/h3,5,7-8H,4H2,1-2H3/t5?,7?,8-,9?/m0/s1
InChIKeyGPPIKZYWHOYFAO-ZSORZDHZSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene?
The IUPAC name of (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene (CID 129157060) is (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene.
What is the SMILES notation for (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene?
The canonical SMILES for (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene is COCC1(C)C(F)C(F)C=C(F)[C@@H]1F.
What is the InChIKey of (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene?
The InChIKey is GPPIKZYWHOYFAO-ZSORZDHZSA-N. The full InChI is InChI=1S/C9H12F4O/c1-9(4-14-2)7(12)5(10)3-6(11)8(9)13/h3,5,7-8H,4H2,1-2H3/t5?,7?,8-,9?/m0/s1.
What are the key properties of (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene?
(6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene has a molecular weight of 212.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,3,4,6-tetrafluoro-5-(methoxymethyl)-5-methylcyclohexene is sourced from PubChem (CID 129157060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).