(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine

C13H18FNO — CID 170298793

IUPAC(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
SMILESFC[C@@H]1CN[C@H](COCc2ccccc2)C1
InChIInChI=1S/C13H18FNO/c14-7-12-6-13(15-8-12)10-16-9-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1
InChIKeyQIJTYWBTVQTKEJ-OLZOCXBDSA-N
MW223.29 g/mol
LogP2.15
Rot. Bonds5

About (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine

(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 170298793) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID170298793
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
SMILESFC[C@@H]1CN[C@H](COCc2ccccc2)C1
InChIInChI=1S/C13H18FNO/c14-7-12-6-13(15-8-12)10-16-9-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1
InChIKeyQIJTYWBTVQTKEJ-OLZOCXBDSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
5-[(4-methylphenyl)methoxymethyl]pyrrolidine-3-thiol
CID 18440976
(2S,5S)-1-[(4-fluorophenyl)methyl]-2-methyl-5-(phenylmethoxymethyl)piperazine
CID 58683736
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine (CID 170298793) is (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine is FC[C@@H]1CN[C@H](COCc2ccccc2)C1.
What is the InChIKey of (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is QIJTYWBTVQTKEJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18FNO/c14-7-12-6-13(15-8-12)10-16-9-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-,13+/m1/s1.
What are the key properties of (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine?
(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 170298793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).