N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C8H7F6N — CID 12637576

IUPACN,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESFC(F)(F)N(C1=CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H7F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyCWFQGLWOAZVHMC-UHFFFAOYSA-N
MW231.14 g/mol
LogP3.56
Rot. Bonds1

About N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 12637576) has the molecular formula C8H7F6N and a molecular weight of 231.14 g/mol. Its IUPAC name is N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID12637576
Molecular FormulaC8H7F6N
Molecular Weight231.14 g/mol
Exact Mass231.05
IUPAC NameN,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESFC(F)(F)N(C1=CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H7F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyCWFQGLWOAZVHMC-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 12637576) is N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is FC(F)(F)N(C1=CC=CCC1)C(F)(F)F.
What is the InChIKey of N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is CWFQGLWOAZVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-2,4H,3,5H2.
What are the key properties of N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 231.14 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 12637576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).