N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C10H14F3N — CID 144539788

IUPACN-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCCN(C)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13/h4,6H,3,5,7H2,1-2H3
InChIKeyDDMUIGBIUXVSBH-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.10
Rot. Bonds2

About N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 144539788) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID144539788
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCCN(C)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13/h4,6H,3,5,7H2,1-2H3
InChIKeyDDMUIGBIUXVSBH-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

N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 142451897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 144539788) is N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CCN(C)C1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is DDMUIGBIUXVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-14(2)9-6-4-8(5-7-9)10(11,12)13/h4,6H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-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-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144539788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).