3-[4-(1-fluoroethyl)phenoxy]pyrrolidine

C12H16FNO — CID 115026405

IUPAC3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
SMILESCC(F)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C12H16FNO/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyMTHWNRBDZHQVGV-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.46
Rot. Bonds3

About 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine

3-[4-(1-fluoroethyl)phenoxy]pyrrolidine (PubChem CID 115026405) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
PubChem CID115026405
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
SMILESCC(F)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C12H16FNO/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyMTHWNRBDZHQVGV-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-(4-methylphenoxy)pyrrolidine
CID 18337173
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 90093065
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
4-[4-(difluoromethoxy)phenoxy]piperidine
CID 86685910
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine?
The IUPAC name of 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine (CID 115026405) is 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine?
The canonical SMILES for 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine is CC(F)c1ccc(OC2CCNC2)cc1.
What is the InChIKey of 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine?
The InChIKey is MTHWNRBDZHQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine?
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-fluoroethyl)phenoxy]pyrrolidine is sourced from PubChem (CID 115026405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).