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

C9H10F3NO — CID 143615714

IUPAC[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
SMILESNCC1=CCC=C(OC(F)(F)F)C=C1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8-3-1-2-7(6-13)4-5-8/h2-5H,1,6,13H2
InChIKeyNBGGERUVZJLFTR-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.25
Rot. Bonds2

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

[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine (PubChem CID 143615714) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
PubChem CID143615714
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
SMILESNCC1=CCC=C(OC(F)(F)F)C=C1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8-3-1-2-7(6-13)4-5-8/h2-5H,1,6,13H2
InChIKeyNBGGERUVZJLFTR-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.25
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
[6-(Trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 142236543
(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 143043496
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(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
[2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162549966
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637
ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149842
N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 142837118
(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
CID 143689086

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The IUPAC name of [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine (CID 143615714) is [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The canonical SMILES for [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine is NCC1=CCC=C(OC(F)(F)F)C=C1.
What is the InChIKey of [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
The InChIKey is NBGGERUVZJLFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)14-8-3-1-2-7(6-13)4-5-8/h2-5H,1,6,13H2.
What are the key properties of [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine?
[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine is sourced from PubChem (CID 143615714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).