[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine

C8H10F3NO — CID 177150022

IUPAC[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=C(OC(F)(F)F)CCC=C1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1,3H,2,4-5,12H2
InChIKeyJLFGBRUIZYTOJK-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.09
Rot. Bonds2

About [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine

[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 177150022) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
PubChem CID177150022
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=C(OC(F)(F)F)CCC=C1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1,3H,2,4-5,12H2
InChIKeyJLFGBRUIZYTOJK-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(trifluoromethoxy)hepta-4,6-dien-1-amine
CID 89214865
[6-(Trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 142236543
[2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162549966
6-Methyl-5-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162574752
2-[2-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 165403764
ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149842
[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 153688992
1-[5-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 154541549
[6-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 162559267
[3-Fluoro-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162566380
[4-(Difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162604665
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149843

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine (CID 177150022) is [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine is NCC1=C(OC(F)(F)F)CCC=C1.
What is the InChIKey of [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is JLFGBRUIZYTOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1,3H,2,4-5,12H2.
What are the key properties of [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine?
[2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 177150022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).