N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H12F3N — CID 154551229

IUPACN,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C(F)(F)F)C=CCC1C
InChIInChI=1S/C9H12F3N/c1-6-4-3-5-7(8(6)13-2)9(10,11)12/h3,5-6,13H,4H2,1-2H3
InChIKeyDXDDXBXWRPFFPN-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.62
Rot. Bonds1

About N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 154551229) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID154551229
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C(F)(F)F)C=CCC1C
InChIInChI=1S/C9H12F3N/c1-6-4-3-5-7(8(6)13-2)9(10,11)12/h3,5-6,13H,4H2,1-2H3
InChIKeyDXDDXBXWRPFFPN-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

4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
2-N,2-N-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2-diamine
CID 89514150
2-[1-(Dimethylamino)-2-methylpropan-2-yl]-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89514161
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
CID 130413491
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
1-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 138478275
(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
N-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 142138471
N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 142171966
4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
CID 142561426

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 154551229) is N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CNC1=C(C(F)(F)F)C=CCC1C.
What is the InChIKey of N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is DXDDXBXWRPFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6-4-3-5-7(8(6)13-2)9(10,11)12/h3,5-6,13H,4H2,1-2H3.
What are the key properties of N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-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,6-dimethyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 154551229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).