3-[difluoro(phenoxy)methyl]pyrrolidine

C11H13F2NO — CID 67518392

IUPAC3-[difluoro(phenoxy)methyl]pyrrolidine
SMILESFC(F)(Oc1ccccc1)C1CCNC1
InChIInChI=1S/C11H13F2NO/c12-11(13,9-6-7-14-8-9)15-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2
InChIKeyIJZGFQOBTSPBGD-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.27
Rot. Bonds3

About 3-[difluoro(phenoxy)methyl]pyrrolidine

3-[difluoro(phenoxy)methyl]pyrrolidine (PubChem CID 67518392) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[difluoro(phenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[difluoro(phenoxy)methyl]pyrrolidine
PubChem CID67518392
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[difluoro(phenoxy)methyl]pyrrolidine
SMILESFC(F)(Oc1ccccc1)C1CCNC1
InChIInChI=1S/C11H13F2NO/c12-11(13,9-6-7-14-8-9)15-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2
InChIKeyIJZGFQOBTSPBGD-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
CID 147466437
2-[difluoro(pyrrolidin-3-yl)methyl]pyridine
CID 116839129
4-(1-fluoro-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115042008
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
CID 97303974
trifluoromethoxybenzene
CID 157402708
tert-butyl-[diphenyl(pyrrolidin-3-yl)methoxy]silane
CID 154194417
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
CID 143839334
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
3-phenoxypiperidin-4-amine
CID 91441507
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(phenoxy)methyl]pyrrolidine?
The IUPAC name of 3-[difluoro(phenoxy)methyl]pyrrolidine (CID 67518392) is 3-[difluoro(phenoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-[difluoro(phenoxy)methyl]pyrrolidine?
The canonical SMILES for 3-[difluoro(phenoxy)methyl]pyrrolidine is FC(F)(Oc1ccccc1)C1CCNC1.
What is the InChIKey of 3-[difluoro(phenoxy)methyl]pyrrolidine?
The InChIKey is IJZGFQOBTSPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13,9-6-7-14-8-9)15-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2.
What are the key properties of 3-[difluoro(phenoxy)methyl]pyrrolidine?
3-[difluoro(phenoxy)methyl]pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(phenoxy)methyl]pyrrolidine is sourced from PubChem (CID 67518392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).