N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine

C10H11F6N — CID 141431550

IUPACN,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine
SMILESFC(F)(F)CN(CC(F)(F)F)C1=CCCC=C1
InChIInChI=1S/C10H11F6N/c11-9(12,13)6-17(7-10(14,15)16)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2
InChIKeyVQEPLUOIWPSHOE-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.65
Rot. Bonds3

About N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine

N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 141431550) has the molecular formula C10H11F6N and a molecular weight of 259.19 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine
PubChem CID141431550
Molecular FormulaC10H11F6N
Molecular Weight259.19 g/mol
Exact Mass259.08
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine
SMILESFC(F)(F)CN(CC(F)(F)F)C1=CCCC=C1
InChIInChI=1S/C10H11F6N/c11-9(12,13)6-17(7-10(14,15)16)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2
InChIKeyVQEPLUOIWPSHOE-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine (CID 141431550) is N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine is FC(F)(F)CN(CC(F)(F)F)C1=CCCC=C1.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is VQEPLUOIWPSHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N/c11-9(12,13)6-17(7-10(14,15)16)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine?
N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 259.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 141431550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).