2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine

C7H10F2N2 — CID 115405774

IUPAC2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cc[nH]c1
InChIInChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2
InChIKeyQLAMWAHYLABHOZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.37
Rot. Bonds4

About 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine

2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 115405774) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID115405774
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cc[nH]c1
InChIInChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2
InChIKeyQLAMWAHYLABHOZ-UHFFFAOYSA-N
XLogP1.37
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686124
2-methoxy-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686359
3-methyl-2-[(1H-pyrrol-3-ylmethylamino)methyl]butanoic acid
CID 115250331
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
CID 115686154
4-[(1H-pyrrol-3-ylmethylamino)methyl]aniline
CID 115212481
2-methyl-1-(1H-pyrrol-3-ylmethylamino)propan-2-ol
CID 66409643
3-chloro-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115215629
3-(difluoromethyl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 115744160
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686118
5-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 107302884
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 115405774) is 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine is FC(F)CNCc1cc[nH]c1.
What is the InChIKey of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is QLAMWAHYLABHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2.
What are the key properties of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 160.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 115405774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).