5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine

C8H11F2N — CID 170098416

IUPAC5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine
SMILESCC1=C(N)C(F)=CC(F)CC1
InChIInChI=1S/C8H11F2N/c1-5-2-3-6(9)4-7(10)8(5)11/h4,6H,2-3,11H2,1H3
InChIKeyXBLORHQURDNYIM-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.20
Rot. Bonds

About 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine

5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine (PubChem CID 170098416) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine.

Molecular Properties

Compound Name5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine
PubChem CID170098416
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine
SMILESCC1=C(N)C(F)=CC(F)CC1
InChIInChI=1S/C8H11F2N/c1-5-2-3-6(9)4-7(10)8(5)11/h4,6H,2-3,11H2,1H3
InChIKeyXBLORHQURDNYIM-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine?
The IUPAC name of 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine (CID 170098416) is 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine.
What is the SMILES notation for 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine?
The canonical SMILES for 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine is CC1=C(N)C(F)=CC(F)CC1.
What is the InChIKey of 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine?
The InChIKey is XBLORHQURDNYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5-2-3-6(9)4-7(10)8(5)11/h4,6H,2-3,11H2,1H3.
What are the key properties of 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine?
5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine has a molecular weight of 159.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-methylcyclohepta-1,6-dien-1-amine is sourced from PubChem (CID 170098416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).