6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene

C9H13F — CID 143519479

IUPAC6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(F)C(C)=C1
InChIInChI=1S/C9H13F/c1-7-4-5-9(3,10)8(2)6-7/h4,6H,5H2,1-3H3
InChIKeyLKQQFCCBYHQZGG-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.01
Rot. Bonds

About 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene

6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene (PubChem CID 143519479) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
PubChem CID143519479
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(F)C(C)=C1
InChIInChI=1S/C9H13F/c1-7-4-5-9(3,10)8(2)6-7/h4,6H,5H2,1-3H3
InChIKeyLKQQFCCBYHQZGG-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline
CID 167255843
1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
CID 123470859
ethane;3,3,6-trimethyl-2,4-dihydroazepine
CID 142165644
butane;ethane;3-ethyl-6-methylidenecyclohexa-2,4-dien-1-imine;6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene;1-methyl-4-prop-1-en-2-ylbenzene;N-[(2Z)-penta-2,4-dien-2-yl]propan-2-imine;pentane
CID 143736212
1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
CID 150206567
6-amino-3,6-dimethylcyclohexa-1,3-diene-1-carboxylic acid
CID 163928155
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
CID 154169989
3,3,6-trimethyl-2,4-dihydroazepine
CID 142165645
(4-fluoro-5-hydroxy-4-methylcyclohexa-1,5-dien-1-yl) acetate
CID 167074355
6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 71307734

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene (CID 143519479) is 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene is CC1=CCC(C)(F)C(C)=C1.
What is the InChIKey of 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene?
The InChIKey is LKQQFCCBYHQZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-7-4-5-9(3,10)8(2)6-7/h4,6H,5H2,1-3H3.
What are the key properties of 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene?
6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 143519479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).