4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine

C14H17F3N2 — CID 167017573

IUPAC4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C(C2=CC=C(N)CC2)C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1,3,5,7,13H,2,4,6,8,18-19H2
InChIKeySMGUUADGSLQXHZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.29
Rot. Bonds2

About 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine

4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine (PubChem CID 167017573) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine
PubChem CID167017573
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C(C2=CC=C(N)CC2)C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1,3,5,7,13H,2,4,6,8,18-19H2
InChIKeySMGUUADGSLQXHZ-UHFFFAOYSA-N
XLogP3.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine (CID 167017573) is 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine is NC1=CC=C(C(C2=CC=C(N)CC2)C(F)(F)F)CC1.
What is the InChIKey of 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is SMGUUADGSLQXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1,3,5,7,13H,2,4,6,8,18-19H2.
What are the key properties of 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine?
4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 270.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 167017573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).