[6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine

C9H10F3NO — CID 142236543

IUPAC[6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESNCC1=CC=CCC(OC(F)(F)F)=C1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8-4-2-1-3-7(5-8)6-13/h1-3,5H,4,6,13H2
InChIKeyHBIPSEUTDMAFAJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.25
Rot. Bonds2

About [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine

[6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine (PubChem CID 142236543) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
PubChem CID142236543
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESNCC1=CC=CCC(OC(F)(F)F)=C1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8-4-2-1-3-7(5-8)6-13/h1-3,5H,4,6,13H2
InChIKeyHBIPSEUTDMAFAJ-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

(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine
CID 139397517
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149842
[2-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 177150022
1-[4-(2,2,2-Trifluoroethoxy)cyclohepta-1,4,6-trien-1-yl]ethanamine
CID 162566108
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149843
(4-Methoxycyclohepta-1,3,6-trien-1-yl)methanamine
CID 143367781

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine?
The IUPAC name of [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine (CID 142236543) is [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine?
The canonical SMILES for [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine is NCC1=CC=CCC(OC(F)(F)F)=C1.
What is the InChIKey of [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine?
The InChIKey is HBIPSEUTDMAFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)14-8-4-2-1-3-7(5-8)6-13/h1-3,5H,4,6,13H2.
What are the key properties of [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine?
[6-(trifluoromethoxy)cyclohepta-1,3,6-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 [6-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine is sourced from PubChem (CID 142236543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).