4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine

C7H14F2N2O — CID 146364730

IUPAC4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCC(F)(F)C1CNCC1N
InChIInChI=1S/C7H14F2N2O/c1-12-4-7(8,9)5-2-11-3-6(5)10/h5-6,11H,2-4,10H2,1H3
InChIKeyLCIAUPDQJCYRFO-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.19
Rot. Bonds3

About 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine

4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 146364730) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine
PubChem CID146364730
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCC(F)(F)C1CNCC1N
InChIInChI=1S/C7H14F2N2O/c1-12-4-7(8,9)5-2-11-3-6(5)10/h5-6,11H,2-4,10H2,1H3
InChIKeyLCIAUPDQJCYRFO-UHFFFAOYSA-N
XLogP-0.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine
CID 141041656
(1R)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine
CID 141041714
4-(1,1-Difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine
CID 146364649
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
4-(1,1-Difluoro-2-methoxyethyl)-1-iodopyrrolidin-3-amine
CID 166796991
3-(1,1-Difluoro-2-methoxyethyl)pyrrolidine
CID 176121156
1-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65377813
3-[2-(Difluoromethoxy)ethyl]pyrrolidine
CID 84717019
3-[2-(Trifluoromethoxy)ethyl]pyrrolidine
CID 104680513
N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744976
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744978

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine (CID 146364730) is 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine is COCC(F)(F)C1CNCC1N.
What is the InChIKey of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is LCIAUPDQJCYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-12-4-7(8,9)5-2-11-3-6(5)10/h5-6,11H,2-4,10H2,1H3.
What are the key properties of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine?
4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 180.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 146364730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).