3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine

C14H20FNO — CID 115042137

IUPAC3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
SMILESCC(C)(F)c1ccccc1OCC1CCNC1
InChIInChI=1S/C14H20FNO/c1-14(2,15)12-5-3-4-6-13(12)17-10-11-7-8-16-9-11/h3-6,11,16H,7-10H2,1-2H3
InChIKeySPLSBALZGDMJEV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds4

About 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine

3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine (PubChem CID 115042137) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
PubChem CID115042137
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
SMILESCC(C)(F)c1ccccc1OCC1CCNC1
InChIInChI=1S/C14H20FNO/c1-14(2,15)12-5-3-4-6-13(12)17-10-11-7-8-16-9-11/h3-6,11,16H,7-10H2,1-2H3
InChIKeySPLSBALZGDMJEV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
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(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
(3R)-3-[(2-tert-butyl-4-chlorophenoxy)methyl]pyrrolidine
CID 86320408
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine?
The IUPAC name of 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine (CID 115042137) is 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine is CC(C)(F)c1ccccc1OCC1CCNC1.
What is the InChIKey of 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine?
The InChIKey is SPLSBALZGDMJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,15)12-5-3-4-6-13(12)17-10-11-7-8-16-9-11/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine?
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 115042137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).