(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine

C6H12FNO — CID 174752444

IUPAC(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyWSHNSHPVWNBHLB-PHDIDXHHSA-N
MW133.17 g/mol
LogP0.19
Rot. Bonds2

About (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine

(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine (PubChem CID 174752444) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine
PubChem CID174752444
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyWSHNSHPVWNBHLB-PHDIDXHHSA-N
XLogP0.19
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 ≤ 50.19
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
(S)-3-(methoxymethyl)pyrrolidine hydrochloride
CID 71642900
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
(R)-3-(Methoxymethyl)pyrrolidine hydrochloride
CID 91933778
Methyl[(oxolan-3-yl)methyl]amine hydrochloride
CID 127263582
O-[[(3S)-pyrrolidin-3-yl]methyl]hydroxylamine
CID 149567589
3-(Methoxymethyl)-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 177800662
(R)-O-(Pyrrolidin-3-ylmethyl)hydroxylamine
CID 172868993

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine?
The IUPAC name of (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine (CID 174752444) is (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine is COC[C@H]1CNC[C@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine?
The InChIKey is WSHNSHPVWNBHLB-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12FNO/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine?
(3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine has a molecular weight of 133.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 174752444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).