(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine

C7H14F2N2 — CID 67226979

IUPAC(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine
SMILESCC(C(F)F)[C@]1(N)CCNC1
InChIInChI=1S/C7H14F2N2/c1-5(6(8)9)7(10)2-3-11-4-7/h5-6,11H,2-4,10H2,1H3/t5?,7-/m0/s1
InChIKeyYAWMAGBYHMIINY-MSZQBOFLSA-N
MW164.20 g/mol
LogP0.58
Rot. Bonds2

About (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine

(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine (PubChem CID 67226979) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine
PubChem CID67226979
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine
SMILESCC(C(F)F)[C@]1(N)CCNC1
InChIInChI=1S/C7H14F2N2/c1-5(6(8)9)7(10)2-3-11-4-7/h5-6,11H,2-4,10H2,1H3/t5?,7-/m0/s1
InChIKeyYAWMAGBYHMIINY-MSZQBOFLSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine (CID 67226979) is (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine is CC(C(F)F)[C@]1(N)CCNC1.
What is the InChIKey of (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine?
The InChIKey is YAWMAGBYHMIINY-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(6(8)9)7(10)2-3-11-4-7/h5-6,11H,2-4,10H2,1H3/t5?,7-/m0/s1.
What are the key properties of (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine?
(3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine has a molecular weight of 164.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,1-difluoropropan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 67226979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).