1-(2,2-difluoroethyl)pyrrolidin-3-amine

C6H12F2N2 — CID 62067703

IUPAC1-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2
InChIKeySTFHSLYWFPMOHR-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.28
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrolidin-3-amine

1-(2,2-difluoroethyl)pyrrolidin-3-amine (PubChem CID 62067703) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidin-3-amine
PubChem CID62067703
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name1-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2
InChIKeySTFHSLYWFPMOHR-UHFFFAOYSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-Methylpyrrolidin-3-amine
CID 18940396
1-Ethylpyrrolidin-3-amine
CID 12861942
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
(3R)-3-Amino-1-methylpyrrolidine
CID 21034111
2-(3,3-Difluoropyrrolidin-1-yl)ethan-1-amine
CID 53403552
(3S,4R)-4-fluoro-1-methyl-pyrrolidin-3-amine
CID 68271596
(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine
CID 146163112
4-Fluoro-1-methylpyrrolidin-3-amine dihydrochloride
CID 84719612
4,4-Difluoro-1-methylpyrrolidin-3-amine dihydrochloride
CID 84722814
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine dihydrochloride
CID 121209032
rac-(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 154804794

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidin-3-amine (CID 62067703) is 1-(2,2-difluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidin-3-amine is NC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The InChIKey is STFHSLYWFPMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidin-3-amine?
1-(2,2-difluoroethyl)pyrrolidin-3-amine has a molecular weight of 150.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 62067703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).