2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C10H20F2N2 — CID 106981967

IUPAC2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCC(F)F)CCNC1
InChIInChI=1S/C10H20F2N2/c1-8(2)10(3-4-13-6-10)7-14-5-9(11)12/h8-9,13-14H,3-7H2,1-2H3
InChIKeyUMABWUGNCBTRQB-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.48
Rot. Bonds5

About 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 106981967) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID106981967
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCC(F)F)CCNC1
InChIInChI=1S/C10H20F2N2/c1-8(2)10(3-4-13-6-10)7-14-5-9(11)12/h8-9,13-14H,3-7H2,1-2H3
InChIKeyUMABWUGNCBTRQB-UHFFFAOYSA-N
XLogP1.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
1-(2-methylcyclopropyl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981993
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820
N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 84668493
3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
CID 114113999
4-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 58970518
2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 83144348
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
CID 115363272
N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 106981897
N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106981815
N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 106981814
(3R)-3-fluoro-3-propan-2-ylpyrrolidine
CID 129375315

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 106981967) is 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(C)C1(CNCC(F)F)CCNC1.
What is the InChIKey of 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is UMABWUGNCBTRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(2)10(3-4-13-6-10)7-14-5-9(11)12/h8-9,13-14H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 206.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106981967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).