N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine

C10H12F3N — CID 145221447

IUPACN-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
SMILESC=C1CCC(C(F)(F)F)=CC=C1NC
InChIInChI=1S/C10H12F3N/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2/h5-6,14H,1,3-4H2,2H3
InChIKeyYZLBFCYRZSVSMV-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.93
Rot. Bonds1

About N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine

N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine (PubChem CID 145221447) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
PubChem CID145221447
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
SMILESC=C1CCC(C(F)(F)F)=CC=C1NC
InChIInChI=1S/C10H12F3N/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2/h5-6,14H,1,3-4H2,2H3
InChIKeyYZLBFCYRZSVSMV-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The IUPAC name of N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine (CID 145221447) is N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The canonical SMILES for N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine is C=C1CCC(C(F)(F)F)=CC=C1NC.
What is the InChIKey of N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The InChIKey is YZLBFCYRZSVSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2/h5-6,14H,1,3-4H2,2H3.
What are the key properties of N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 145221447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).