(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene

C8H11F — CID 70214531

IUPAC(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=CC(CF)=CC1
InChIInChI=1S/C8H11F/c1-7-2-4-8(6-9)5-3-7/h2,4-5,7H,3,6H2,1H3/t7-/m0/s1
InChIKeyDSJGPSORAHEPKN-ZETCQYMHSA-N
MW126.17 g/mol
LogP2.48
Rot. Bonds1

About (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene

(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene (PubChem CID 70214531) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene
PubChem CID70214531
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=CC(CF)=CC1
InChIInChI=1S/C8H11F/c1-7-2-4-8(6-9)5-3-7/h2,4-5,7H,3,6H2,1H3/t7-/m0/s1
InChIKeyDSJGPSORAHEPKN-ZETCQYMHSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene (CID 70214531) is (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene is C[C@H]1C=CC(CF)=CC1.
What is the InChIKey of (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is DSJGPSORAHEPKN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11F/c1-7-2-4-8(6-9)5-3-7/h2,4-5,7H,3,6H2,1H3/t7-/m0/s1.
What are the key properties of (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene?
(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 126.17 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 (5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70214531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).