[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine

C8H10F4N2 — CID 68863371

IUPAC[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C(F)=C(F)C=C(F)C1(F)CN
InChIInChI=1S/C8H10F4N2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4H,2-3,13-14H2
InChIKeyITWVFCRJCQTFSX-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.25
Rot. Bonds2

About [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine

[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 68863371) has the molecular formula C8H10F4N2 and a molecular weight of 210.17 g/mol. Its IUPAC name is [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
PubChem CID68863371
Molecular FormulaC8H10F4N2
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C(F)=C(F)C=C(F)C1(F)CN
InChIInChI=1S/C8H10F4N2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4H,2-3,13-14H2
InChIKeyITWVFCRJCQTFSX-UHFFFAOYSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine (CID 68863371) is [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine is NCC1C(F)=C(F)C=C(F)C1(F)CN.
What is the InChIKey of [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is ITWVFCRJCQTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4H,2-3,13-14H2.
What are the key properties of [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine?
[6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 210.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 68863371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).