6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene

C9H13F — CID 139457511

IUPAC6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1(C)F
InChIInChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3
InChIKeyMOZAFOMGPOFQNU-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.87
Rot. Bonds1

About 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene

6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 139457511) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID139457511
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1(C)F
InChIInChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3
InChIKeyMOZAFOMGPOFQNU-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
CID 174381773
(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
CID 175761556
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
CID 141411641
2-(6-chloro-6-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 70494698
1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 134378481
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride
CID 69446492
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)propanoic acid
CID 175836916
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
[6-(hydroxymethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanol;bis(2-methylprop-2-enoic acid)
CID 175550836
1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol
CID 141084832

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene (CID 139457511) is 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene is CCC1C=CC=CC1(C)F.
What is the InChIKey of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is MOZAFOMGPOFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 139457511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).