2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine

C7H14F2N2 — CID 20763653

IUPAC2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)C(F)F)C1
InChIInChI=1S/C7H14F2N2/c1-11-3-2-5(4-11)6(10)7(8)9/h5-7H,2-4,10H2,1H3
InChIKeyQZTQHNBVDSRNMC-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.53
Rot. Bonds2

About 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine

2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 20763653) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID20763653
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)C(F)F)C1
InChIInChI=1S/C7H14F2N2/c1-11-3-2-5(4-11)6(10)7(8)9/h5-7H,2-4,10H2,1H3
InChIKeyQZTQHNBVDSRNMC-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)-3-pyrrolidinemethanamine
CID 24700159
(1,2-Dimethylpyrrolidin-3-yl)methanamine
CID 70457053
2-Methyl-3-(trifluoromethyl)pyrrolidine hydrochloride
CID 91647524
rac-(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
CID 96734114
1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 171359672
1-(1-Methylpyrrolidin-3-yl)ethan-1-amine
CID 18712659
1-(3-Fluoro-1-methylpyrrolidin-3-yl)ethanamine
CID 20763628
1-(4,4-Difluoro-1-methylpyrrolidin-3-yl)ethanamine
CID 20763629
1-(4-Fluoro-1-methylpyrrolidin-3-yl)ethanamine
CID 20763634
[1-Methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 20763642
2,2,3,3,3-Pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763650
2-Fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 20763665

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 20763653) is 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(C(N)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is QZTQHNBVDSRNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-11-3-2-5(4-11)6(10)7(8)9/h5-7H,2-4,10H2,1H3.
What are the key properties of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).