3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene

C11H16F2O — CID 143502312

IUPAC3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=CC(OC(F)F)=CCC1
InChIInChI=1S/C11H16F2O/c1-8(2)6-9-4-3-5-10(7-9)14-11(12)13/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyBQAGEFXMBUKXHP-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.88
Rot. Bonds4

About 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene

3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene (PubChem CID 143502312) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene
PubChem CID143502312
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=CC(OC(F)F)=CCC1
InChIInChI=1S/C11H16F2O/c1-8(2)6-9-4-3-5-10(7-9)14-11(12)13/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyBQAGEFXMBUKXHP-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
3-Fluoro-2-methoxy-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 59432808
1-Cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene
CID 70288749
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
5-Fluoro-2-methoxy-1-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)cyclohexa-1,3-diene
CID 89877562
8-Methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
CID 91033486
[2-Methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
CID 91103722
4-(2,2-Difluoroethoxy)-1-hexan-2-ylcyclohepta-1,3,5-triene
CID 91198045
5-Methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene
CID 123844485
1,6-Dimethyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 135269211

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene?
The IUPAC name of 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene (CID 143502312) is 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene?
The canonical SMILES for 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene is CC(C)CC1=CC(OC(F)F)=CCC1.
What is the InChIKey of 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene?
The InChIKey is BQAGEFXMBUKXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-8(2)6-9-4-3-5-10(7-9)14-11(12)13/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene?
3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene has a molecular weight of 202.24 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 143502312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).