6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H9F6N — CID 139310721

IUPAC6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC(C(F)(F)F)=CC1C(F)(F)F
InChIInChI=1S/C9H9F6N/c1-4-6(9(13,14)15)2-5(3-7(4)16)8(10,11)12/h2-4,6H,16H2,1H3
InChIKeyMTBWIRNUGOJSRY-UHFFFAOYSA-N
MW245.17 g/mol
LogP3.15
Rot. Bonds

About 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 139310721) has the molecular formula C9H9F6N and a molecular weight of 245.17 g/mol. Its IUPAC name is 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID139310721
Molecular FormulaC9H9F6N
Molecular Weight245.17 g/mol
Exact Mass245.06
IUPAC Name6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC(C(F)(F)F)=CC1C(F)(F)F
InChIInChI=1S/C9H9F6N/c1-4-6(9(13,14)15)2-5(3-7(4)16)8(10,11)12/h2-4,6H,16H2,1H3
InChIKeyMTBWIRNUGOJSRY-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67518760
5-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-amine
CID 68342203
5,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,4-diamine
CID 69086322
3,5-Difluoro-5,6-dimethylcyclohexa-1,3-dien-1-amine
CID 69711831
3,4-Difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 70567026
3-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 70669625
4,5,6-Trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
CID 88652889
5,6-Dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89073739
6-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89073819
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89074118
3,5-Difluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 89260040
(6R)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-1,3-dien-1-amine
CID 89555619

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 139310721) is 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC1C(N)=CC(C(F)(F)F)=CC1C(F)(F)F.
What is the InChIKey of 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is MTBWIRNUGOJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N/c1-4-6(9(13,14)15)2-5(3-7(4)16)8(10,11)12/h2-4,6H,16H2,1H3.
What are the key properties of 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 245.17 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139310721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).