3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene

C11H17F — CID 130179158

IUPAC3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(C(C)C)C=C1F
InChIInChI=1S/C11H17F/c1-8(2)11(4)6-5-9(3)10(12)7-11/h5,7-8H,6H2,1-4H3
InChIKeyAILCEICFDFCEAR-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.85
Rot. Bonds1

About 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene

3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 130179158) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID130179158
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(C(C)C)C=C1F
InChIInChI=1S/C11H17F/c1-8(2)11(4)6-5-9(3)10(12)7-11/h5,7-8H,6H2,1-4H3
InChIKeyAILCEICFDFCEAR-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 129146561
N-methyl-1-(4-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)ethenamine
CID 170381049
(5S)-5-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 45096415
1,6,6-trimethyl-4,4-di(propan-2-yl)cyclohexene
CID 174871633
3,5-difluoro-2-methylcyclohepta-1,3,5-triene
CID 142115585
5-fluoro-4-methyl-1,2-dihydropyridine
CID 89141364
2,6-dimethyl-2,5-di(propan-2-yl)-3H-pyridine
CID 155036257
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
CID 89277390
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 6451618
trans-(1R,2S)-2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)cyclopropan-1-amine
CID 163713598
1-[(1R)-1,3-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl]-2,3,5-trifluorobenzene
CID 169282371
1,3,3-trimethyl-5,5-di(propan-2-yl)cyclohexene
CID 174872220

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene (CID 130179158) is 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene is CC1=CCC(C)(C(C)C)C=C1F.
What is the InChIKey of 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is AILCEICFDFCEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-8(2)11(4)6-5-9(3)10(12)7-11/h5,7-8H,6H2,1-4H3.
What are the key properties of 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene?
3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 168.25 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 130179158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).