3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine

C16H22FNO2 — CID 66849048

IUPAC3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
SMILESFc1cccc(O[C@H](C2CCOCC2)C2CCNC2)c1
InChIInChI=1S/C16H22FNO2/c17-14-2-1-3-15(10-14)20-16(13-4-7-18-11-13)12-5-8-19-9-6-12/h1-3,10,12-13,16,18H,4-9,11H2/t13?,16-/m1/s1
InChIKeyADXVEFWAMIPCBR-FQNRMIAFSA-N
MW279.35 g/mol
LogP2.61
Rot. Bonds4

About 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine

3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine (PubChem CID 66849048) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
PubChem CID66849048
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
SMILESFc1cccc(O[C@H](C2CCOCC2)C2CCNC2)c1
InChIInChI=1S/C16H22FNO2/c17-14-2-1-3-15(10-14)20-16(13-4-7-18-11-13)12-5-8-19-9-6-12/h1-3,10,12-13,16,18H,4-9,11H2/t13?,16-/m1/s1
InChIKeyADXVEFWAMIPCBR-FQNRMIAFSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-oxan-4-yl-[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 66859831
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66860705
(3R)-3-[(S)-(2-chlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66859425
(3R)-3-[(R)-[3-chloro-2-(trifluoromethyl)phenoxy]-(oxan-4-yl)methyl]pyrrolidine
CID 66848904
(3S)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66889324
(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66848895
2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
CID 117237369
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
(3S)-3-[(1S)-2-methylsulfanyl-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66860712

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine (CID 66849048) is 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine is Fc1cccc(O[C@H](C2CCOCC2)C2CCNC2)c1.
What is the InChIKey of 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The InChIKey is ADXVEFWAMIPCBR-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-2-1-3-15(10-14)20-16(13-4-7-18-11-13)12-5-8-19-9-6-12/h1-3,10,12-13,16,18H,4-9,11H2/t13?,16-/m1/s1.
What are the key properties of 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine has a molecular weight of 279.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine is sourced from PubChem (CID 66849048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).