4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine

C9H16F2N2O — CID 167996551

IUPAC4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine
SMILESFC1(F)CNC(CN2CCOCC2)C1
InChIInChI=1S/C9H16F2N2O/c10-9(11)5-8(12-7-9)6-13-1-3-14-4-2-13/h8,12H,1-7H2
InChIKeyJSESIZWRMHPPGM-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.32
Rot. Bonds2

About 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine

4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine (PubChem CID 167996551) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine
PubChem CID167996551
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine
SMILESFC1(F)CNC(CN2CCOCC2)C1
InChIInChI=1S/C9H16F2N2O/c10-9(11)5-8(12-7-9)6-13-1-3-14-4-2-13/h8,12H,1-7H2
InChIKeyJSESIZWRMHPPGM-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine
CID 167996550
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine
CID 141358011
4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
CID 117269817
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4-[(4-methoxypyrrolidin-2-yl)methyl]morpholine
CID 61214671
4-[(4,4-difluoropiperidin-3-yl)methyl]morpholine
CID 105475528
4-(azetidin-3-ylmethyl)morpholine
CID 66596271
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine
CID 88583947
2-(morpholin-4-ylmethyl)piperidine-4-carboxylic acid
CID 123313424

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine (CID 167996551) is 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine is FC1(F)CNC(CN2CCOCC2)C1.
What is the InChIKey of 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine?
The InChIKey is JSESIZWRMHPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-9(11)5-8(12-7-9)6-13-1-3-14-4-2-13/h8,12H,1-7H2.
What are the key properties of 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine?
4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine has a molecular weight of 206.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine is sourced from PubChem (CID 167996551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).