7,7-difluoro-2,5-dimethylcyclohepten-1-amine

C9H15F2N — CID 138725909

IUPAC7,7-difluoro-2,5-dimethylcyclohepten-1-amine
SMILESCC1=C(N)C(F)(F)CC(C)CC1
InChIInChI=1S/C9H15F2N/c1-6-3-4-7(2)8(12)9(10,11)5-6/h6H,3-5,12H2,1-2H3
InChIKeyBKDUBCAMKIRPRB-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.67
Rot. Bonds

About 7,7-difluoro-2,5-dimethylcyclohepten-1-amine

7,7-difluoro-2,5-dimethylcyclohepten-1-amine (PubChem CID 138725909) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 7,7-difluoro-2,5-dimethylcyclohepten-1-amine.

Molecular Properties

Compound Name7,7-difluoro-2,5-dimethylcyclohepten-1-amine
PubChem CID138725909
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name7,7-difluoro-2,5-dimethylcyclohepten-1-amine
SMILESCC1=C(N)C(F)(F)CC(C)CC1
InChIInChI=1S/C9H15F2N/c1-6-3-4-7(2)8(12)9(10,11)5-6/h6H,3-5,12H2,1-2H3
InChIKeyBKDUBCAMKIRPRB-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2,5-dimethylcyclohepten-1-amine?
The IUPAC name of 7,7-difluoro-2,5-dimethylcyclohepten-1-amine (CID 138725909) is 7,7-difluoro-2,5-dimethylcyclohepten-1-amine.
What is the SMILES notation for 7,7-difluoro-2,5-dimethylcyclohepten-1-amine?
The canonical SMILES for 7,7-difluoro-2,5-dimethylcyclohepten-1-amine is CC1=C(N)C(F)(F)CC(C)CC1.
What is the InChIKey of 7,7-difluoro-2,5-dimethylcyclohepten-1-amine?
The InChIKey is BKDUBCAMKIRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6-3-4-7(2)8(12)9(10,11)5-6/h6H,3-5,12H2,1-2H3.
What are the key properties of 7,7-difluoro-2,5-dimethylcyclohepten-1-amine?
7,7-difluoro-2,5-dimethylcyclohepten-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,5-dimethylcyclohepten-1-amine is sourced from PubChem (CID 138725909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).