4-(2,2-difluoroethyl)morpholine-2-carbonitrile

C7H10F2N2O — CID 78958703

IUPAC4-(2,2-difluoroethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(F)F)CCO1
InChIInChI=1S/C7H10F2N2O/c8-7(9)5-11-1-2-12-6(3-10)4-11/h6-7H,1-2,4-5H2
InChIKeySMTZZEXKWPDYCI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.48
Rot. Bonds2

About 4-(2,2-difluoroethyl)morpholine-2-carbonitrile

4-(2,2-difluoroethyl)morpholine-2-carbonitrile (PubChem CID 78958703) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)morpholine-2-carbonitrile
PubChem CID78958703
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name4-(2,2-difluoroethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(F)F)CCO1
InChIInChI=1S/C7H10F2N2O/c8-7(9)5-11-1-2-12-6(3-10)4-11/h6-7H,1-2,4-5H2
InChIKeySMTZZEXKWPDYCI-UHFFFAOYSA-N
XLogP0.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
4-(2-ethylhexyl)morpholine-2-carbonitrile
CID 79674455
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79674172
2-cyclopropyl-4-(2,2-difluoroethyl)morpholine
CID 130626261
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
CID 79674895
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
CID 111105453
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,2-difluoroethyl)morpholine-2-carbonitrile (CID 78958703) is 4-(2,2-difluoroethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,2-difluoroethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,2-difluoroethyl)morpholine-2-carbonitrile is N#CC1CN(CC(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroethyl)morpholine-2-carbonitrile?
The InChIKey is SMTZZEXKWPDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9)5-11-1-2-12-6(3-10)4-11/h6-7H,1-2,4-5H2.
What are the key properties of 4-(2,2-difluoroethyl)morpholine-2-carbonitrile?
4-(2,2-difluoroethyl)morpholine-2-carbonitrile has a molecular weight of 176.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78958703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).