N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C9H12F3N — CID 162577650

IUPACN,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)CC(C)=C1
InChIInChI=1S/C9H12F3N/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h4-5,7,13H,3H2,1-2H3
InChIKeyGHHCCOFVVOTCBK-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.62
Rot. Bonds1

About N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 162577650) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID162577650
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)CC(C)=C1
InChIInChI=1S/C9H12F3N/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h4-5,7,13H,3H2,1-2H3
InChIKeyGHHCCOFVVOTCBK-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
CID 67991642
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
CID 89088185
1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylethanamine
CID 91012112
(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine
CID 118616269
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 134365754
(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527422
(4E,6E)-N,3,8-trimethyl-6-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527441
5-Propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 138551284

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 162577650) is N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CNC1=CC(C(F)(F)F)CC(C)=C1.
What is the InChIKey of N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is GHHCCOFVVOTCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h4-5,7,13H,3H2,1-2H3.
What are the key properties of N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162577650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).