3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine

C14H19F2NO — CID 116840190

IUPAC3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)CC2CCNC2)cc1C
InChIInChI=1S/C14H19F2NO/c1-10-7-12(3-4-13(10)18-2)14(15,16)8-11-5-6-17-9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyPGHQCNXKUMEKGJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.10
Rot. Bonds4

About 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine

3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine (PubChem CID 116840190) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
PubChem CID116840190
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)CC2CCNC2)cc1C
InChIInChI=1S/C14H19F2NO/c1-10-7-12(3-4-13(10)18-2)14(15,16)8-11-5-6-17-9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyPGHQCNXKUMEKGJ-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

3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840215
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
5-(1,1-difluoro-2-pyrrolidin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116840235
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 105480756
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The IUPAC name of 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine (CID 116840190) is 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine is COc1ccc(C(F)(F)CC2CCNC2)cc1C.
What is the InChIKey of 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The InChIKey is PGHQCNXKUMEKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-7-12(3-4-13(10)18-2)14(15,16)8-11-5-6-17-9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine?
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]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 3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 116840190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).