4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

C11H15F2N3 — CID 126790792

IUPAC4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H]2C(F)F)ccn1
InChIInChI=1S/C11H15F2N3/c12-11(13)9-2-1-5-16(9)7-8-3-4-15-10(14)6-8/h3-4,6,9,11H,1-2,5,7H2,(H2,14,15)/t9-/m1/s1
InChIKeyUNXBGEYUUHTTPE-SECBINFHSA-N
MW227.26 g/mol
LogP1.89
Rot. Bonds3

About 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 126790792) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID126790792
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC[C@@H]2C(F)F)ccn1
InChIInChI=1S/C11H15F2N3/c12-11(13)9-2-1-5-16(9)7-8-3-4-15-10(14)6-8/h3-4,6,9,11H,1-2,5,7H2,(H2,14,15)/t9-/m1/s1
InChIKeyUNXBGEYUUHTTPE-SECBINFHSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 126790792) is 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC[C@@H]2C(F)F)ccn1.
What is the InChIKey of 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is UNXBGEYUUHTTPE-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-11(13)9-2-1-5-16(9)7-8-3-4-15-10(14)6-8/h3-4,6,9,11H,1-2,5,7H2,(H2,14,15)/t9-/m1/s1.
What are the key properties of 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 227.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 126790792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).