2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine

C14H20FNO — CID 106640253

IUPAC2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine
SMILESCC(C)Oc1cccc(C(F)C2CCCN2)c1
InChIInChI=1S/C14H20FNO/c1-10(2)17-12-6-3-5-11(9-12)14(15)13-7-4-8-16-13/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3
InChIKeyPTHDEDKEGFKZJW-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.24
Rot. Bonds4

About 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine

2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine (PubChem CID 106640253) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine
PubChem CID106640253
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine
SMILESCC(C)Oc1cccc(C(F)C2CCCN2)c1
InChIInChI=1S/C14H20FNO/c1-10(2)17-12-6-3-5-11(9-12)14(15)13-7-4-8-16-13/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3
InChIKeyPTHDEDKEGFKZJW-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
CID 105492174
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
3-[fluoro(piperidin-2-yl)methyl]-5-methoxypyridine
CID 106634961
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine (CID 106640253) is 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine is CC(C)Oc1cccc(C(F)C2CCCN2)c1.
What is the InChIKey of 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine?
The InChIKey is PTHDEDKEGFKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)17-12-6-3-5-11(9-12)14(15)13-7-4-8-16-13/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3.
What are the key properties of 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine?
2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 106640253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).