2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene

C9H11F3O — CID 123303907

IUPAC2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene
SMILESCC1=CCCC(OC(F)(F)F)C=C1
InChIInChI=1S/C9H11F3O/c1-7-3-2-4-8(6-5-7)13-9(10,11)12/h3,5-6,8H,2,4H2,1H3
InChIKeyCAUUGOVIXIIDFA-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.19
Rot. Bonds1

About 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene

2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene (PubChem CID 123303907) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene
PubChem CID123303907
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene
SMILESCC1=CCCC(OC(F)(F)F)C=C1
InChIInChI=1S/C9H11F3O/c1-7-3-2-4-8(6-5-7)13-9(10,11)12/h3,5-6,8H,2,4H2,1H3
InChIKeyCAUUGOVIXIIDFA-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Quinceoxepine
CID 131752304
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134888606
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Fluoro-6-methoxy-1-methylcyclohexa-1,3-diene
CID 68381504
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
5-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 89337031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene?
The IUPAC name of 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene (CID 123303907) is 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene.
What is the SMILES notation for 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene?
The canonical SMILES for 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene is CC1=CCCC(OC(F)(F)F)C=C1.
What is the InChIKey of 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene?
The InChIKey is CAUUGOVIXIIDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-7-3-2-4-8(6-5-7)13-9(10,11)12/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene?
2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene has a molecular weight of 192.18 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethoxy)cyclohepta-1,3-diene is sourced from PubChem (CID 123303907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).