2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene

C10H10ClF3 — CID 162578067

IUPAC2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCC1=CCCC=C(Cl)C(C(F)(F)F)=C1
InChIInChI=1S/C10H10ClF3/c1-7-4-2-3-5-9(11)8(6-7)10(12,13)14/h4-6H,2-3H2,1H3
InChIKeyVPXPHWPFHYLEDG-UHFFFAOYSA-N
MW222.64 g/mol
LogP4.34
Rot. Bonds

About 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene

2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene (PubChem CID 162578067) has the molecular formula C10H10ClF3 and a molecular weight of 222.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene
PubChem CID162578067
Molecular FormulaC10H10ClF3
Molecular Weight222.64 g/mol
Exact Mass222.04
IUPAC Name2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCC1=CCCC=C(Cl)C(C(F)(F)F)=C1
InChIInChI=1S/C10H10ClF3/c1-7-4-2-3-5-9(11)8(6-7)10(12,13)14/h4-6H,2-3H2,1H3
InChIKeyVPXPHWPFHYLEDG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
CID 142017090
5-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 91545932
2-(2-methylpropyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 169111729
4,6-dimethyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 173111909
1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
CID 153147089
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
(3-methylcyclohexa-1,3-dien-1-yl)silane
CID 173485389
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
N,N,5-trimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160667564
2-methyl-5-methylidene-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 163750803
methane;2-methylcyclohexa-1,3-diene
CID 143188946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The IUPAC name of 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene (CID 162578067) is 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene.
What is the SMILES notation for 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The canonical SMILES for 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene is CC1=CCCC=C(Cl)C(C(F)(F)F)=C1.
What is the InChIKey of 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The InChIKey is VPXPHWPFHYLEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3/c1-7-4-2-3-5-9(11)8(6-7)10(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene has a molecular weight of 222.64 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene is sourced from PubChem (CID 162578067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).