6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene

C9H12F2 — CID 154473465

IUPAC6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene
SMILESCC1(C)C=CC=CC1C(F)F
InChIInChI=1S/C9H12F2/c1-9(2)6-4-3-5-7(9)8(10)11/h3-8H,1-2H3
InChIKeyIHQVMALNNWYAFW-UHFFFAOYSA-N
MW158.19 g/mol
LogP3.02
Rot. Bonds1

About 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene

6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene (PubChem CID 154473465) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene
PubChem CID154473465
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene
SMILESCC1(C)C=CC=CC1C(F)F
InChIInChI=1S/C9H12F2/c1-9(2)6-4-3-5-7(9)8(10)11/h3-8H,1-2H3
InChIKeyIHQVMALNNWYAFW-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5-dimethyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89187288
4-fluoro-3,3-dimethylcyclobutene
CID 174786125
2-(4,4-dimethylcyclobut-2-en-1-yl)propanal
CID 130035312
6,6-dimethylcyclohexa-2,4-diene-1-carbonyl chloride
CID 19367926
chloro-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanamine
CID 67656494
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
1-(1-fluoropropoxy)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 86584814
5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene
CID 15328759
7-tert-butyl-7-methylcyclohepta-1,3,5-triene
CID 90813280
1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol
CID 141084832
1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
CID 141161555
1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
CID 141344343

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene (CID 154473465) is 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene is CC1(C)C=CC=CC1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene?
The InChIKey is IHQVMALNNWYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c1-9(2)6-4-3-5-7(9)8(10)11/h3-8H,1-2H3.
What are the key properties of 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene?
6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene has a molecular weight of 158.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 154473465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).