4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine

C9H18F2N2 — CID 116991552

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3
InChIKeyBVQGTSYSTDFTES-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds4

About 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine

4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine (PubChem CID 116991552) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
PubChem CID116991552
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3
InChIKeyBVQGTSYSTDFTES-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine (CID 116991552) is 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine is CC(CCN)CN1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The InChIKey is BVQGTSYSTDFTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116991552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).