3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine

C13H17F2NO — CID 117007629

IUPAC3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccccc1N1CCC(F)(F)C1
InChIInChI=1S/C13H17F2NO/c1-10(2)17-12-6-4-3-5-11(12)16-8-7-13(14,15)9-16/h3-6,10H,7-9H2,1-2H3
InChIKeyVDBTWPFHIWXRTP-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.32
Rot. Bonds3

About 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine

3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 117007629) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
PubChem CID117007629
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccccc1N1CCC(F)(F)C1
InChIInChI=1S/C13H17F2NO/c1-10(2)17-12-6-4-3-5-11(12)16-8-7-13(14,15)9-16/h3-6,10H,7-9H2,1-2H3
InChIKeyVDBTWPFHIWXRTP-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
4-(3,3-difluoropyrrolidin-1-yl)-3-(2-methylpropoxy)aniline
CID 139036252
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499
4-fluoro-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione
CID 11984570
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine (CID 117007629) is 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine is CC(C)Oc1ccccc1N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is VDBTWPFHIWXRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-10(2)17-12-6-4-3-5-11(12)16-8-7-13(14,15)9-16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine?
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 117007629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).