(3S)-3-(4-fluorophenoxy)pyrrolidine

C10H12FNO — CID 26192125

IUPAC(3S)-3-(4-fluorophenoxy)pyrrolidine
SMILESFc1ccc(O[C@H]2CCNC2)cc1
InChIInChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m0/s1
InChIKeyYKPHNAHLNXEANR-JTQLQIEISA-N
MW181.21 g/mol
LogP1.57
Rot. Bonds2

About (3S)-3-(4-fluorophenoxy)pyrrolidine

(3S)-3-(4-fluorophenoxy)pyrrolidine (PubChem CID 26192125) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenoxy)pyrrolidine
PubChem CID26192125
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(3S)-3-(4-fluorophenoxy)pyrrolidine
SMILESFc1ccc(O[C@H]2CCNC2)cc1
InChIInChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m0/s1
InChIKeyYKPHNAHLNXEANR-JTQLQIEISA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol
CID 54555250
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
CID 90736825
2-fluoro-4-pyrrolidin-3-yloxybenzonitrile
CID 107923350
2-fluoro-4-[(3S)-pyrrolidin-3-yl]oxybenzonitrile
CID 107923342
4-(4-iodophenoxy)piperidine
CID 53409910

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(4-fluorophenoxy)pyrrolidine (CID 26192125) is (3S)-3-(4-fluorophenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(4-fluorophenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(4-fluorophenoxy)pyrrolidine is Fc1ccc(O[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenoxy)pyrrolidine?
The InChIKey is YKPHNAHLNXEANR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenoxy)pyrrolidine?
(3S)-3-(4-fluorophenoxy)pyrrolidine has a molecular weight of 181.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 26192125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).