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

C8H9F4N — CID 89270131

IUPAC[5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=C(C(F)(F)F)CCC(F)=C1
InChIInChI=1S/C8H9F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h3H,1-2,4,13H2
InChIKeyJAFISLAETCIYKU-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.45
Rot. Bonds1

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

[5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 89270131) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
PubChem CID89270131
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=C(C(F)(F)F)CCC(F)=C1
InChIInChI=1S/C8H9F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h3H,1-2,4,13H2
InChIKeyJAFISLAETCIYKU-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Diamino-3,5-bis(trifluoromethyl)aniline
CID 19958632
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
[3-Methyl-3,5-bis(trifluoromethyl)cyclohexa-1,4-dien-1-yl]methanamine
CID 88069062
(6-Fluorocyclohexa-1,3,4-trien-1-yl)methanamine
CID 88561653
(1S)-3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 88939537
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
CID 89009809
(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine
CID 89073924
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89074017
[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 89074114
(4-Fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 89090864

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine (CID 89270131) is [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine is NCC1=C(C(F)(F)F)CCC(F)=C1.
What is the InChIKey of [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is JAFISLAETCIYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h3H,1-2,4,13H2.
What are the key properties of [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
[5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 195.16 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 89270131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).