4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine

C6H13FN2O — CID 146364486

IUPAC4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCC1(F)CNCC1N
InChIInChI=1S/C6H13FN2O/c1-10-4-6(7)3-9-2-5(6)8/h5,9H,2-4,8H2,1H3
InChIKeyBVKNKDZMQLZZFE-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.73
Rot. Bonds2

About 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine

4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine (PubChem CID 146364486) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine
PubChem CID146364486
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCC1(F)CNCC1N
InChIInChI=1S/C6H13FN2O/c1-10-4-6(7)3-9-2-5(6)8/h5,9H,2-4,8H2,1H3
InChIKeyBVKNKDZMQLZZFE-UHFFFAOYSA-N
XLogP-0.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethoxymethyl)-3-fluoropyrrolidine
CID 90165371
(3S)-3-[fluoro(methoxy)methyl]pyrrolidine
CID 91449518
3-Fluoro-3-(methoxymethyl)pyrrolidine
CID 112564308
(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine
CID 124592227
(3R)-3-fluoro-3-(methoxymethyl)pyrrolidine
CID 124592229
4-Fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine
CID 137489571
2-Fluoro-4-(methoxymethyl)pyrrolidine
CID 141730574
4-Fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine
CID 142528473
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine
CID 166796960
(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine
CID 174752444
3-Fluoro-4-(methoxymethyl)pyrrolidine
CID 174833272

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine (CID 146364486) is 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine is COCC1(F)CNCC1N.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine?
The InChIKey is BVKNKDZMQLZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-10-4-6(7)3-9-2-5(6)8/h5,9H,2-4,8H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine?
4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine has a molecular weight of 148.18 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)pyrrolidin-3-amine is sourced from PubChem (CID 146364486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).