N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine

C12H24F2N2 — CID 18723537

IUPACN-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(C)CC1CC(F)F
InChIInChI=1S/C12H24F2N2/c1-4-16(5-2)9-11-8-15(3)7-10(11)6-12(13)14/h10-12H,4-9H2,1-3H3
InChIKeyCOOITVPRDDNJAZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.16
Rot. Bonds6

About N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine

N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine (PubChem CID 18723537) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
PubChem CID18723537
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(C)CC1CC(F)F
InChIInChI=1S/C12H24F2N2/c1-4-16(5-2)9-11-8-15(3)7-10(11)6-12(13)14/h10-12H,4-9H2,1-3H3
InChIKeyCOOITVPRDDNJAZ-UHFFFAOYSA-N
XLogP2.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine (CID 18723537) is N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CN(C)CC1CC(F)F.
What is the InChIKey of N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The InChIKey is COOITVPRDDNJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-4-16(5-2)9-11-8-15(3)7-10(11)6-12(13)14/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine has a molecular weight of 234.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 18723537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).