N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine

C9H16F2N2 — CID 118390755

IUPACN-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2/c1-7(2)12-8(3)13-5-4-9(10,11)6-13/h7,12H,3-6H2,1-2H3
InChIKeyUNFHBLDMUYMFMR-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine

N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine (PubChem CID 118390755) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine
PubChem CID118390755
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2/c1-7(2)12-8(3)13-5-4-9(10,11)6-13/h7,12H,3-6H2,1-2H3
InChIKeyUNFHBLDMUYMFMR-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 131041967
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
3,3-difluoro-1-[(3E)-4-propan-2-ylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 142482447
3,3-difluoropyrrolidine-1-carboximidamide
CID 121200791
(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116991766
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 116991756
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine?
The IUPAC name of N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine (CID 118390755) is N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine?
The canonical SMILES for N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine is C=C(NC(C)C)N1CCC(F)(F)C1.
What is the InChIKey of N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine?
The InChIKey is UNFHBLDMUYMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-7(2)12-8(3)13-5-4-9(10,11)6-13/h7,12H,3-6H2,1-2H3.
What are the key properties of N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine?
N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine has a molecular weight of 190.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine is sourced from PubChem (CID 118390755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).