(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid

C7H10FNO3 — CID 130266373

IUPAC(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid
SMILESO=C(O)CC/C=C\CNC(=O)F
InChIInChI=1S/C7H10FNO3/c8-7(12)9-5-3-1-2-4-6(10)11/h1,3H,2,4-5H2,(H,9,12)(H,10,11)/b3-1-
InChIKeyWLXJPGFLXRZTHU-IWQZZHSRSA-N
MW175.16 g/mol
LogP1.09
Rot. Bonds5

About (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid

(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid (PubChem CID 130266373) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid
PubChem CID130266373
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid
SMILESO=C(O)CC/C=C\CNC(=O)F
InChIInChI=1S/C7H10FNO3/c8-7(12)9-5-3-1-2-4-6(10)11/h1,3H,2,4-5H2,(H,9,12)(H,10,11)/b3-1-
InChIKeyWLXJPGFLXRZTHU-IWQZZHSRSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
5-fluoropent-4-enoic acid
CID 173120467
7,7,7-trifluorohept-4-enoic acid
CID 154391646
(Z)-9-oxodec-4-enoic acid
CID 12893742
(E)-pentadec-4-enedioic acid
CID 156873655
(E)-octadec-4-enedioic acid
CID 166071490
hept-4-enoic acid;hydrochloride
CID 143782457
6-phosphonohex-4-enoic acid
CID 173274154
(E)-8-aminooct-4-enoic acid
CID 6365538
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(E)-10-oxodec-4-enoic acid
CID 6365679
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid?
The IUPAC name of (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid (CID 130266373) is (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid.
What is the SMILES notation for (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid?
The canonical SMILES for (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid is O=C(O)CC/C=C\CNC(=O)F.
What is the InChIKey of (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid?
The InChIKey is WLXJPGFLXRZTHU-IWQZZHSRSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-7(12)9-5-3-1-2-4-6(10)11/h1,3H,2,4-5H2,(H,9,12)(H,10,11)/b3-1-.
What are the key properties of (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid?
(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid has a molecular weight of 175.16 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(carbonofluoridoylamino)hex-4-enoic acid is sourced from PubChem (CID 130266373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).