2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene

C11H15F3 — CID 70989541

IUPAC2-methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=C(C(CC=C1)C(F)(F)F)C(C)C
InChIInChI=1S/C11H15F3/c1-7(2)10-8(3)5-4-6-9(10)11(12,13)14/h4-5,7,9H,6H2,1-3H3
InChIKeySLYAGWPQHHKVEF-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.70
Rot. Bonds1

About 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene

2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 70989541) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID70989541
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=C(C(CC=C1)C(F)(F)F)C(C)C
InChIInChI=1S/C11H15F3/c1-7(2)10-8(3)5-4-6-9(10)11(12,13)14/h4-5,7,9H,6H2,1-3H3
InChIKeySLYAGWPQHHKVEF-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity269

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

o-Mentha-1(7),5,8-triene
CID 71403442
Cyclohexene, 4-methyl-3-(1-methylethylidene)-
CID 564722
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
5-Methyl-1-vinyl-1-cyclohexene
CID 13382650
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
CID 134942847
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
(R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
CID 162623291
1,1-Difluoro-4,8-dimethylnona-1,7-diene
CID 164674098

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 70989541) is 2-methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene is CC1=C(C(CC=C1)C(F)(F)F)C(C)C.
What is the InChIKey of 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is SLYAGWPQHHKVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c1-7(2)10-8(3)5-4-6-9(10)11(12,13)14/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 204.23 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70989541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).