ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C10H16F3N — CID 144864983

IUPACethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N.C2H6/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-2/h3,5,12H,2,4H2,1H3;1-2H3
InChIKeyZPGWURULDBSCIT-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.40
Rot. Bonds1

About ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 144864983) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID144864983
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Nameethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N.C2H6/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-2/h3,5,12H,2,4H2,1H3;1-2H3
InChIKeyZPGWURULDBSCIT-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 144864983) is ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC.CNC1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is ZPGWURULDBSCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N.C2H6/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-2/h3,5,12H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144864983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).