3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine

C14H20FNO — CID 66848319

IUPAC3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11?,14-/m0/s1
InChIKeyBYWDTZQGGBXCEA-IAXJKZSUSA-N
MW237.32 g/mol
LogP2.84
Rot. Bonds4

About 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine

3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine (PubChem CID 66848319) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
PubChem CID66848319
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11?,14-/m0/s1
InChIKeyBYWDTZQGGBXCEA-IAXJKZSUSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-(3-fluorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66849048
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
CID 66854507
(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
CID 117237369
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
4-[1-(3,5-difluorophenoxy)ethyl]piperidine
CID 117051139
3-[1-[4-chloro-2-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848899
3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848683
3-(1-naphthalen-2-yloxyethyl)pyrrolidine
CID 59544011
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
4-(2-methyl-1-piperidin-3-ylpropoxy)benzonitrile
CID 68968804

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The IUPAC name of 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine (CID 66848319) is 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine.
What is the SMILES notation for 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The canonical SMILES for 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine is CC(C)[C@H](Oc1cccc(F)c1)C1CCNC1.
What is the InChIKey of 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The InChIKey is BYWDTZQGGBXCEA-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11?,14-/m0/s1.
What are the key properties of 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 66848319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).