2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine

C14H19F2NO — CID 117391311

IUPAC2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1C(C)(F)F
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-7-3-5-10(13(12)18-2)9-11-6-4-8-17-11/h3,5,7,11,17H,4,6,8-9H2,1-2H3
InChIKeyWZWIGKWKVSCGJT-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.10
Rot. Bonds4

About 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine

2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine (PubChem CID 117391311) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
PubChem CID117391311
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1C(C)(F)F
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-7-3-5-10(13(12)18-2)9-11-6-4-8-17-11/h3,5,7,11,17H,4,6,8-9H2,1-2H3
InChIKeyWZWIGKWKVSCGJT-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117473874

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine (CID 117391311) is 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine is COc1c(CC2CCCN2)cccc1C(C)(F)F.
What is the InChIKey of 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The InChIKey is WZWIGKWKVSCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(15,16)12-7-3-5-10(13(12)18-2)9-11-6-4-8-17-11/h3,5,7,11,17H,4,6,8-9H2,1-2H3.
What are the key properties of 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine is sourced from PubChem (CID 117391311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).