1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane

C16H25F2N — CID 143435632

IUPAC1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
SMILESCC.CC(C)(C)N1CCC(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2N.C2H6/c1-14(2,3)17-7-6-10(9-17)12-5-4-11(15)8-13(12)16;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3
InChIKeyJCWWBKUYUVMACZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.58
Rot. Bonds1

About 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane

1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane (PubChem CID 143435632) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
PubChem CID143435632
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
SMILESCC.CC(C)(C)N1CCC(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2N.C2H6/c1-14(2,3)17-7-6-10(9-17)12-5-4-11(15)8-13(12)16;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3
InChIKeyJCWWBKUYUVMACZ-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane;formic acid
CID 143435697
(3R)-1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;N-[1-[5-fluoro-2-(1-formylpiperidin-4-yl)phenyl]ethyl]acetamide
CID 142165833
(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 142165697
(3R)-1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;4-(4-cyclohexyl-1-methylpiperidin-4-yl)-2-methylbutan-2-ol;formaldehyde
CID 142165713
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
CID 118309422
N-[(1S)-1-[2-[1-[2-[1-tert-butyl-3-(2,4-difluorophenyl)piperidin-4-yl]-2-oxoethyl]piperidin-4-yl]-4,5-dimethylphenyl]ethyl]-N-propan-2-ylacetamide
CID 143183896
1-tert-butyl-3-(4-chloro-2-fluorophenyl)pyrrolidine;ethane;N-[[4-fluoro-2-(1-formylpiperidin-4-yl)-5-methylphenyl]methyl]acetamide
CID 143183921
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
4-(1-tert-butylpyrrolidin-3-yl)aniline
CID 67250052
[4-[2-(aminomethyl)-4,5-dimethylphenyl]piperidin-1-yl]-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone
CID 142992963
methyl 1-tert-butyl-4-(2,4-difluorophenyl)-3-methylpyrrolidine-3-carboxylate
CID 160645976

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane?
The IUPAC name of 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane (CID 143435632) is 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane.
What is the SMILES notation for 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane?
The canonical SMILES for 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane is CC.CC(C)(C)N1CCC(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane?
The InChIKey is JCWWBKUYUVMACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N.C2H6/c1-14(2,3)17-7-6-10(9-17)12-5-4-11(15)8-13(12)16;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3.
What are the key properties of 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane?
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane has a molecular weight of 269.38 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane is sourced from PubChem (CID 143435632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).