1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene

C16H20F2 — CID 71028663

IUPAC1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)=C(F)C([C@H]2CC(C)=CC(C)=C2F)C1
InChIInChI=1S/C16H20F2/c1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18/h5-6,13-14H,7-8H2,1-4H3/t13-,14?/m1/s1
InChIKeyBZPNHLOXMNLBCM-KWCCSABGSA-N
MW250.33 g/mol
LogP5.41
Rot. Bonds1

About 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene

1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene (PubChem CID 71028663) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene
PubChem CID71028663
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)=C(F)C([C@H]2CC(C)=CC(C)=C2F)C1
InChIInChI=1S/C16H20F2/c1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18/h5-6,13-14H,7-8H2,1-4H3/t13-,14?/m1/s1
InChIKeyBZPNHLOXMNLBCM-KWCCSABGSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene (CID 71028663) is 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene is CC1=CC(C)=C(F)C([C@H]2CC(C)=CC(C)=C2F)C1.
What is the InChIKey of 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene?
The InChIKey is BZPNHLOXMNLBCM-KWCCSABGSA-N. The full InChI is InChI=1S/C16H20F2/c1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18/h5-6,13-14H,7-8H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene?
1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene has a molecular weight of 250.33 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 71028663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).