(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine

C6H12FNO — CID 124592227

IUPAC(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@]1(F)CCNC1
InChIInChI=1S/C6H12FNO/c1-9-5-6(7)2-3-8-4-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyBWWAJKNTOFNEJZ-LURJTMIESA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds2

About (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine

(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine (PubChem CID 124592227) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine
PubChem CID124592227
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@]1(F)CCNC1
InChIInChI=1S/C6H12FNO/c1-9-5-6(7)2-3-8-4-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyBWWAJKNTOFNEJZ-LURJTMIESA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyltetrahydro-3-furanmethanamine
CID 22355252
Methyl[(oxolan-3-yl)methyl]amine
CID 16228714
3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(Ethoxymethyl)pyrrolidine
CID 45075569
3-(Methoxymethyl)pyrrolidine hydrochloride
CID 46735760
3-(Methoxymethyl)-3-methylpyrrolidine hydrochloride
CID 67343930
(S)-3-(methoxymethyl)pyrrolidine hydrochloride
CID 71642900
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
(R)-3-(Methoxymethyl)pyrrolidine hydrochloride
CID 91933778
O-[(3-fluoropyrrolidin-3-yl)methyl]hydroxylamine;dihydrochloride
CID 178295278
2-Methoxypyrrolidine
CID 12859603
3-(Methoxymethyl)-3-methylpyrrolidine
CID 59540797

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine?
The IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine (CID 124592227) is (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine is COC[C@]1(F)CCNC1.
What is the InChIKey of (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine?
The InChIKey is BWWAJKNTOFNEJZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FNO/c1-9-5-6(7)2-3-8-4-6/h8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine?
(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine has a molecular weight of 133.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 124592227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).