1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane

C9H20F2N2 — CID 156727535

IUPAC1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H14F2N2.C2H6/c1-11(2)4-6-3-7(8,9)5-10-6;1-2/h6,10H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyNFODRHFMSXJJBM-RGMNGODLSA-N
MW194.27 g/mol
LogP1.57
Rot. Bonds2

About 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane

1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane (PubChem CID 156727535) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane
PubChem CID156727535
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC Name1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H14F2N2.C2H6/c1-11(2)4-6-3-7(8,9)5-10-6;1-2/h6,10H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyNFODRHFMSXJJBM-RGMNGODLSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminomethyl-1-ethylpyrrolidine
CID 117295
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2-(2-Methylpyrrolidin-1-yl)ethan-1-amine
CID 15154301
(R)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
methyl[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]amine
CID 14804464
methyl({[(2S)-1-methylpyrrolidin-2-yl]methyl})amine
CID 45087357
[(2R)-1-(propan-2-yl)pyrrolidin-2-yl]methanamine
CID 57700712

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane (CID 156727535) is 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane is CC.CN(C)C[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane?
The InChIKey is NFODRHFMSXJJBM-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14F2N2.C2H6/c1-11(2)4-6-3-7(8,9)5-10-6;1-2/h6,10H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1.
What are the key properties of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane?
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane has a molecular weight of 194.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 156727535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).