3-(difluoromethyl)pyrrolidin-3-amine

C5H10F2N2 — CID 115011297

IUPAC3-(difluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)F)CCNC1
InChIInChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2
InChIKeyKBSGIOQDTRBZCD-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.06
Rot. Bonds1

About 3-(difluoromethyl)pyrrolidin-3-amine

3-(difluoromethyl)pyrrolidin-3-amine (PubChem CID 115011297) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)pyrrolidin-3-amine
PubChem CID115011297
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name3-(difluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)F)CCNC1
InChIInChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2
InChIKeyKBSGIOQDTRBZCD-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(difluoromethyl)pyrrolidin-3-amine (CID 115011297) is 3-(difluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)pyrrolidin-3-amine is NC1(C(F)F)CCNC1.
What is the InChIKey of 3-(difluoromethyl)pyrrolidin-3-amine?
The InChIKey is KBSGIOQDTRBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2.
What are the key properties of 3-(difluoromethyl)pyrrolidin-3-amine?
3-(difluoromethyl)pyrrolidin-3-amine has a molecular weight of 136.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115011297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).