4-(2-fluoroethyl)morpholine-2-carbonitrile

C7H11FN2O — CID 80601541

IUPAC4-(2-fluoroethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CCF)CCO1
InChIInChI=1S/C7H11FN2O/c8-1-2-10-3-4-11-7(5-9)6-10/h7H,1-4,6H2
InChIKeyMIBVWZRBEDLCTC-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.18
Rot. Bonds2

About 4-(2-fluoroethyl)morpholine-2-carbonitrile

4-(2-fluoroethyl)morpholine-2-carbonitrile (PubChem CID 80601541) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-(2-fluoroethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-fluoroethyl)morpholine-2-carbonitrile
PubChem CID80601541
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name4-(2-fluoroethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CCF)CCO1
InChIInChI=1S/C7H11FN2O/c8-1-2-10-3-4-11-7(5-9)6-10/h7H,1-4,6H2
InChIKeyMIBVWZRBEDLCTC-UHFFFAOYSA-N
XLogP0.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
4-[2-(2-methoxyethoxy)ethyl]morpholine-2-carbonitrile
CID 79675052
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
CID 104563060
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
3-[4-(2-fluoroethyl)morpholin-2-yl]propan-1-amine
CID 155354228

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-fluoroethyl)morpholine-2-carbonitrile (CID 80601541) is 4-(2-fluoroethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-fluoroethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-fluoroethyl)morpholine-2-carbonitrile is N#CC1CN(CCF)CCO1.
What is the InChIKey of 4-(2-fluoroethyl)morpholine-2-carbonitrile?
The InChIKey is MIBVWZRBEDLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-1-2-10-3-4-11-7(5-9)6-10/h7H,1-4,6H2.
What are the key properties of 4-(2-fluoroethyl)morpholine-2-carbonitrile?
4-(2-fluoroethyl)morpholine-2-carbonitrile has a molecular weight of 158.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 80601541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).