2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C11H16F2N2 — CID 83208624

IUPAC2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CC(F)F)cc21
InChIInChI=1S/C11H16F2N2/c12-11(13)7-15-5-8-3-1-2-4-10(14)9(8)6-15/h5-6,10-11H,1-4,7,14H2
InChIKeyBWAHUZUHNJYZGZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.48
Rot. Bonds2

About 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208624) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208624
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CC(F)F)cc21
InChIInChI=1S/C11H16F2N2/c12-11(13)7-15-5-8-3-1-2-4-10(14)9(8)6-15/h5-6,10-11H,1-4,7,14H2
InChIKeyBWAHUZUHNJYZGZ-UHFFFAOYSA-N
XLogP2.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208624) is 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(CC(F)F)cc21.
What is the InChIKey of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is BWAHUZUHNJYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c12-11(13)7-15-5-8-3-1-2-4-10(14)9(8)6-15/h5-6,10-11H,1-4,7,14H2.
What are the key properties of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 214.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).