2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine

C11H15F6N — CID 154987114

IUPAC2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine
SMILESCC1=C(N)C(C)C(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C11H15F6N/c1-5-3-7(10(12,13)14)4-8(11(15,16)17)6(2)9(5)18/h6-8H,3-4,18H2,1-2H3
InChIKeyMVOBZCZPJDRQFQ-UHFFFAOYSA-N
MW275.24 g/mol
LogP4.01
Rot. Bonds

About 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine

2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine (PubChem CID 154987114) has the molecular formula C11H15F6N and a molecular weight of 275.24 g/mol. Its IUPAC name is 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine.

Molecular Properties

Compound Name2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine
PubChem CID154987114
Molecular FormulaC11H15F6N
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine
SMILESCC1=C(N)C(C)C(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C11H15F6N/c1-5-3-7(10(12,13)14)4-8(11(15,16)17)6(2)9(5)18/h6-8H,3-4,18H2,1-2H3
InChIKeyMVOBZCZPJDRQFQ-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine?
The IUPAC name of 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine (CID 154987114) is 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine.
What is the SMILES notation for 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine?
The canonical SMILES for 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine is CC1=C(N)C(C)C(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine?
The InChIKey is MVOBZCZPJDRQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N/c1-5-3-7(10(12,13)14)4-8(11(15,16)17)6(2)9(5)18/h6-8H,3-4,18H2,1-2H3.
What are the key properties of 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine?
2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine has a molecular weight of 275.24 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine is sourced from PubChem (CID 154987114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).