2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane

C14H20F3N — CID 143961490

IUPAC2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
SMILESCC.CN1CCCC1c1cc(F)ccc1C(F)F
InChIInChI=1S/C12H14F3N.C2H6/c1-16-6-2-3-11(16)10-7-8(13)4-5-9(10)12(14)15;1-2/h4-5,7,11-12H,2-3,6H2,1H3;1-2H3
InChIKeyOBHJLXIVKHUKGB-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.56
Rot. Bonds2

About 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane

2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane (PubChem CID 143961490) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
PubChem CID143961490
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
SMILESCC.CN1CCCC1c1cc(F)ccc1C(F)F
InChIInChI=1S/C12H14F3N.C2H6/c1-16-6-2-3-11(16)10-7-8(13)4-5-9(10)12(14)15;1-2/h4-5,7,11-12H,2-3,6H2,1H3;1-2H3
InChIKeyOBHJLXIVKHUKGB-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
CID 90801610
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine
CID 10132798
[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite
CID 143664570
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
CID 11991400
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
CID 116856393
2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279455
2-(5-fluoro-2-methylphenyl)-1-hydroxypiperidine
CID 159531377
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane (CID 143961490) is 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane is CC.CN1CCCC1c1cc(F)ccc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane?
The InChIKey is OBHJLXIVKHUKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.C2H6/c1-16-6-2-3-11(16)10-7-8(13)4-5-9(10)12(14)15;1-2/h4-5,7,11-12H,2-3,6H2,1H3;1-2H3.
What are the key properties of 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane?
2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane has a molecular weight of 259.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane is sourced from PubChem (CID 143961490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).