2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine

C8H14F2N2 — CID 166162382

IUPAC2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine
SMILESC=C(CN)N1CC(F)(F)CC1C
InChIInChI=1S/C8H14F2N2/c1-6-3-8(9,10)5-12(6)7(2)4-11/h6H,2-5,11H2,1H3
InChIKeyIXKFWQBYJSUTQR-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.19
Rot. Bonds2

About 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine

2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine (PubChem CID 166162382) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine
PubChem CID166162382
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine
SMILESC=C(CN)N1CC(F)(F)CC1C
InChIInChI=1S/C8H14F2N2/c1-6-3-8(9,10)5-12(6)7(2)4-11/h6H,2-5,11H2,1H3
InChIKeyIXKFWQBYJSUTQR-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine?
The IUPAC name of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine (CID 166162382) is 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine?
The canonical SMILES for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine is C=C(CN)N1CC(F)(F)CC1C.
What is the InChIKey of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine?
The InChIKey is IXKFWQBYJSUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-6-3-8(9,10)5-12(6)7(2)4-11/h6H,2-5,11H2,1H3.
What are the key properties of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine?
2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine has a molecular weight of 176.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 166162382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).