3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine

C9H18F2N2 — CID 117007579

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-12(2)5-3-6-13-7-4-9(10,11)8-13/h3-8H2,1-2H3
InChIKeyHKZDDJJKOFVOEI-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.28
Rot. Bonds4

About 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine

3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 117007579) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID117007579
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-12(2)5-3-6-13-7-4-9(10,11)8-13/h3-8H2,1-2H3
InChIKeyHKZDDJJKOFVOEI-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-heptylpyrrolidine
CID 174988522
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 114525358
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
CID 146498260
3-(8,8-dibutyl-2-aza-8-germaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
CID 13089386

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine (CID 117007579) is 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is HKZDDJJKOFVOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-12(2)5-3-6-13-7-4-9(10,11)8-13/h3-8H2,1-2H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 117007579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).