(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal

C7H10FNO2 — CID 175589234

IUPAC(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal
SMILESO=C/C(F)=C/C1CNCCO1
InChIInChI=1S/C7H10FNO2/c8-6(5-10)3-7-4-9-1-2-11-7/h3,5,7,9H,1-2,4H2/b6-3-
InChIKeyNPSOTSIWFUIEGL-UTCJRWHESA-N
MW159.16 g/mol
LogP0.03
Rot. Bonds2

About (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal

(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal (PubChem CID 175589234) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal
PubChem CID175589234
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal
SMILESO=C/C(F)=C/C1CNCCO1
InChIInChI=1S/C7H10FNO2/c8-6(5-10)3-7-4-9-1-2-11-7/h3,5,7,9H,1-2,4H2/b6-3-
InChIKeyNPSOTSIWFUIEGL-UTCJRWHESA-N
XLogP0.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate
CID 138731977
3-Morpholin-2-ylprop-2-enamide
CID 69621608
Methyl 3-morpholin-2-ylprop-2-enoate
CID 123596848
methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
CID 142350634
ethyl (E)-3-morpholin-2-ylprop-2-enoate
CID 146608481
(E)-4-morpholin-2-ylbut-3-en-2-one
CID 148528836
ethyl 3-[(2S)-morpholin-2-yl]prop-2-enoate
CID 173601679
2-Methyl-3-morpholin-2-ylprop-2-enal
CID 174886174
methyl 3-[(2S)-morpholin-2-yl]prop-2-enoate
CID 175773554
(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
CID 142350635

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal?
The IUPAC name of (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal (CID 175589234) is (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal.
What is the SMILES notation for (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal?
The canonical SMILES for (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal is O=C/C(F)=C/C1CNCCO1.
What is the InChIKey of (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal?
The InChIKey is NPSOTSIWFUIEGL-UTCJRWHESA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6(5-10)3-7-4-9-1-2-11-7/h3,5,7,9H,1-2,4H2/b6-3-.
What are the key properties of (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal?
(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal has a molecular weight of 159.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-morpholin-2-ylprop-2-enal is sourced from PubChem (CID 175589234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).