N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C10H14F3N — CID 142451897

IUPACN-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCCN(C)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-3-14(2)9-7-5-4-6-8(9)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyGHKGQSSNBCMANG-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.10
Rot. Bonds2

About N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 142451897) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID142451897
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCCN(C)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-3-14(2)9-7-5-4-6-8(9)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyGHKGQSSNBCMANG-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine
CID 57534395
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
1-Ethyl-2,4-bis(trifluoromethyl)-1-azacyclohepta-2,4,5-triene
CID 90084212
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 142451897) is N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CCN(C)C1=CCCC=C1C(F)(F)F.
What is the InChIKey of N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is GHKGQSSNBCMANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-14(2)9-7-5-4-6-8(9)10(11,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 205.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142451897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).