4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride

C5H12Cl2F2N2 — CID 84722814

IUPAC4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC(N)C(F)(F)C1.Cl.Cl
InChIInChI=1S/C5H10F2N2.2ClH/c1-9-2-4(8)5(6,7)3-9;;/h4H,2-3,8H2,1H3;2*1H
InChIKeyBXBSYTNAOZHHJD-UHFFFAOYSA-N
MW209.07 g/mol
LogP0.74
Rot. Bonds

About 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride

4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 84722814) has the molecular formula C5H12Cl2F2N2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID84722814
Molecular FormulaC5H12Cl2F2N2
Molecular Weight209.07 g/mol
Exact Mass208.03
IUPAC Name4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC(N)C(F)(F)C1.Cl.Cl
InChIInChI=1S/C5H10F2N2.2ClH/c1-9-2-4(8)5(6,7)3-9;;/h4H,2-3,8H2,1H3;2*1H
InChIKeyBXBSYTNAOZHHJD-UHFFFAOYSA-N
XLogP0.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 53487164
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-(2,2-Difluoroethyl)pyrrolidin-3-amine
CID 62067703
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
N,1-dimethylpyrrolidin-3-amine dihydrochloride
CID 20061788
N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 22120278
1-(Propan-2-yl)pyrrolidin-3-amine dihydrochloride
CID 45789945
1-Methylpyrrolidin-3-amine dihydrochloride
CID 45792254
(3S)-1-methylpyrrolidin-3-amine dihydrochloride
CID 53256033
(3R)-1-methylpyrrolidin-3-amine dihydrochloride
CID 53256048
(3S)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 53482061
(3S)-1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride
CID 67298942

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride (CID 84722814) is 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride is CN1CC(N)C(F)(F)C1.Cl.Cl.
What is the InChIKey of 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is BXBSYTNAOZHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.2ClH/c1-9-2-4(8)5(6,7)3-9;;/h4H,2-3,8H2,1H3;2*1H.
What are the key properties of 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride?
4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 209.07 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 84722814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).