2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene

C11H17FO — CID 130204418

IUPAC2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C)(C(C)C)C1
InChIInChI=1S/C11H17FO/c1-8(2)11(3)6-5-9(12)10(7-11)13-4/h5-6,8H,7H2,1-4H3
InChIKeyHPDSXCSBLKEMLY-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.44
Rot. Bonds2

About 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene

2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 130204418) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID130204418
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C)(C(C)C)C1
InChIInChI=1S/C11H17FO/c1-8(2)11(3)6-5-9(12)10(7-11)13-4/h5-6,8H,7H2,1-4H3
InChIKeyHPDSXCSBLKEMLY-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-Ditert-butyl-1-(2-fluorobutoxy)cyclohexa-1,3-diene
CID 68177801
5-ethenyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247355
6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247383
2-Fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 134454696
2-Tert-butyl-1-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 146199337
2,6-Difluoro-1-methoxy-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 163615206
1-Tert-butyl-2-fluoro-4-methoxy-6-methylcyclohexa-1,3-diene
CID 166796244
2,6-Difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 167026623
1-Methoxy-6-[1-(trifluoromethyl)cyclopropyl]cyclohexa-1,3-diene
CID 175732015
3,3-Dimethyl anethole
CID 175639848
5-Ethyl-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 162578388
1-Methoxy-6-propan-2-ylcyclohexa-1,3-diene
CID 12599194

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene (CID 130204418) is 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene is COC1=C(F)C=CC(C)(C(C)C)C1.
What is the InChIKey of 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HPDSXCSBLKEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-8(2)11(3)6-5-9(12)10(7-11)13-4/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 130204418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).