N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine

C10H12F3NO — CID 142837118

IUPACN-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
SMILESCNCC1=CCC=C(OC(F)(F)F)C=C1
InChIInChI=1S/C10H12F3NO/c1-14-7-8-3-2-4-9(6-5-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUEZCVWARMXIGIZ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine

N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine (PubChem CID 142837118) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
PubChem CID142837118
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
SMILESCNCC1=CCC=C(OC(F)(F)F)C=C1
InChIInChI=1S/C10H12F3NO/c1-14-7-8-3-2-4-9(6-5-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUEZCVWARMXIGIZ-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 143043496
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
1-[5-[difluoro-(3,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)oxymethyl]-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]-N-methylmethanamine
CID 163698559
N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
CID 142930266
N-[[7-methoxy-3-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]formamide
CID 145542951
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-6-methylidene-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162592896

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine (CID 142837118) is N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine is CNCC1=CCC=C(OC(F)(F)F)C=C1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The InChIKey is UEZCVWARMXIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14-7-8-3-2-4-9(6-5-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine is sourced from PubChem (CID 142837118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).