2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine

C7H8F3N — CID 137427443

IUPAC2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(F)C=C(F)C(N)=C(F)C1
InChIInChI=1S/C7H8F3N/c1-7(10)2-4(8)6(11)5(9)3-7/h2H,3,11H2,1H3
InChIKeyVJKOAQVOFHVLNC-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.11
Rot. Bonds

About 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine

2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 137427443) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID137427443
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(F)C=C(F)C(N)=C(F)C1
InChIInChI=1S/C7H8F3N/c1-7(10)2-4(8)6(11)5(9)3-7/h2H,3,11H2,1H3
InChIKeyVJKOAQVOFHVLNC-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluorocyclohexa-1,5-dien-1-amine
CID 17949770
6-(Trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 20278634
4,6-Difluoro-1-methylcyclohexa-2,4-dien-1-amine
CID 68132679
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
5,5-Difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine
CID 68636825
3,4-Difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 70567026
3-Fluoro-6-iodo-4-methylcyclohexa-1,5-dien-1-amine
CID 71025243
4,5,6-Trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
CID 88652889
6-Fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 89053218
6-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89073819
3,5-Difluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 89260040
3,4,5-Trifluoro-6-methylcyclohexa-1,3-diene-1,2-diamine
CID 89509998

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine (CID 137427443) is 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine is CC1(F)C=C(F)C(N)=C(F)C1.
What is the InChIKey of 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is VJKOAQVOFHVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-7(10)2-4(8)6(11)5(9)3-7/h2H,3,11H2,1H3.
What are the key properties of 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine?
2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 137427443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).