4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine

C9H18F2N2 — CID 123801433

IUPAC4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)(F)CN1N(C)C
InChIInChI=1S/C9H18F2N2/c1-7(2)8-5-9(10,11)6-13(8)12(3)4/h7-8H,5-6H2,1-4H3
InChIKeySEVXXBODQUCINF-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.83
Rot. Bonds2

About 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine

4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine (PubChem CID 123801433) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine
PubChem CID123801433
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)(F)CN1N(C)C
InChIInChI=1S/C9H18F2N2/c1-7(2)8-5-9(10,11)6-13(8)12(3)4/h7-8H,5-6H2,1-4H3
InChIKeySEVXXBODQUCINF-UHFFFAOYSA-N
XLogP1.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
CID 162620550
CID 175625880
CID 175625880
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
CID 170772142
2,2-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine
CID 176814532
1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105935
(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105344
1-methyl-2-propan-2-ylazetidine
CID 23588958
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 155624492
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 163939113
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 126844182

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine?
The IUPAC name of 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine (CID 123801433) is 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine.
What is the SMILES notation for 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine?
The canonical SMILES for 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine is CC(C)C1CC(F)(F)CN1N(C)C.
What is the InChIKey of 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine?
The InChIKey is SEVXXBODQUCINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)8-5-9(10,11)6-13(8)12(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine?
4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 123801433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).