(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine

C5H10F2N2 — CID 86679678

IUPAC(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1C(F)F
InChIInChI=1S/C5H10F2N2/c6-5(7)3-1-9-2-4(3)8/h3-5,9H,1-2,8H2/t3-,4-/m1/s1
InChIKeyZTHNKFRDCYSSES-QWWZWVQMSA-N
MW136.15 g/mol
LogP-0.20
Rot. Bonds1

About (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine

(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine (PubChem CID 86679678) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine
PubChem CID86679678
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1C(F)F
InChIInChI=1S/C5H10F2N2/c6-5(7)3-1-9-2-4(3)8/h3-5,9H,1-2,8H2/t3-,4-/m1/s1
InChIKeyZTHNKFRDCYSSES-QWWZWVQMSA-N
XLogP-0.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine (CID 86679678) is (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine is N[C@@H]1CNC[C@H]1C(F)F.
What is the InChIKey of (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine?
The InChIKey is ZTHNKFRDCYSSES-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)3-1-9-2-4(3)8/h3-5,9H,1-2,8H2/t3-,4-/m1/s1.
What are the key properties of (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine?
(3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine has a molecular weight of 136.15 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(difluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 86679678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).