5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine

C14H13F6N — CID 162565193

IUPAC5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C2=C(C(F)(F)F)C=CCC2)C(C(F)(F)F)C1
InChIInChI=1S/C14H13F6N/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h2,4-6,12H,1,3,7,21H2
InChIKeyGLTLEONQZCMWAO-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.55
Rot. Bonds1

About 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine

5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 162565193) has the molecular formula C14H13F6N and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine
PubChem CID162565193
Molecular FormulaC14H13F6N
Molecular Weight309.25 g/mol
Exact Mass309.10
IUPAC Name5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C2=C(C(F)(F)F)C=CCC2)C(C(F)(F)F)C1
InChIInChI=1S/C14H13F6N/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h2,4-6,12H,1,3,7,21H2
InChIKeyGLTLEONQZCMWAO-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-Bis(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 88001103
5-(3,3,4,4,5,5,5-Heptafluoropentyl)-6,6-bis(trifluoromethyl)cyclohexa-1,3-diene-1,3-diamine
CID 88332968
(6R)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-1,3-dien-1-amine
CID 89555619
4-[(1S,4S)-4-(1,1-difluoroethyl)cyclohex-2-en-1-yl]but-1-en-2-amine
CID 118311879
4,5-Difluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588757
3,4,5-Trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588923
(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine
CID 146245333
4-[(E)-3-fluorobut-2-enyl]-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 163451182
4-[(4-Cyclohexa-1,3-dien-1-yl-5-cyclopropyl-2,3,6-trifluoro-6-methylcyclohexa-1,3-dien-1-yl)methyl]cyclohexa-1,3-dien-1-amine
CID 163549652
4-[1-(4-Aminocyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethyl]cyclohexa-1,3-dien-1-amine
CID 167017573
4-(4,4-Difluorocyclohexyl)cyclohexa-1,5-diene-1,4-diamine
CID 172698488
(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 174139095

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine (CID 162565193) is 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine is NC1=CC=C(C2=C(C(F)(F)F)C=CCC2)C(C(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is GLTLEONQZCMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h2,4-6,12H,1,3,7,21H2.
What are the key properties of 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine?
5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 309.25 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 162565193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).