6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H9F6N — CID 155072377

IUPAC6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C(F)(F)F)CC(C(F)(F)F)=CC=C1N
InChIInChI=1S/C9H9F6N/c1-7(9(13,14)15)4-5(8(10,11)12)2-3-6(7)16/h2-3H,4,16H2,1H3
InChIKeyCIIHCULSMUDVOZ-UHFFFAOYSA-N
MW245.17 g/mol
LogP3.29
Rot. Bonds

About 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine

6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 155072377) has the molecular formula C9H9F6N and a molecular weight of 245.17 g/mol. Its IUPAC name is 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID155072377
Molecular FormulaC9H9F6N
Molecular Weight245.17 g/mol
Exact Mass245.06
IUPAC Name6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C(F)(F)F)CC(C(F)(F)F)=CC=C1N
InChIInChI=1S/C9H9F6N/c1-7(9(13,14)15)4-5(8(10,11)12)2-3-6(7)16/h2-3H,4,16H2,1H3
InChIKeyCIIHCULSMUDVOZ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 155072377) is 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC1(C(F)(F)F)CC(C(F)(F)F)=CC=C1N.
What is the InChIKey of 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is CIIHCULSMUDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N/c1-7(9(13,14)15)4-5(8(10,11)12)2-3-6(7)16/h2-3H,4,16H2,1H3.
What are the key properties of 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 245.17 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155072377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).