(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid

C8H15FN2O2 — CID 142663150

IUPAC(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid
SMILESCC(CC/C(F)=C/C(N)N)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-5(8(12)13)2-3-6(9)4-7(10)11/h4-5,7H,2-3,10-11H2,1H3,(H,12,13)/b6-4-
InChIKeyBCFWFUDPZJFCNS-XQRVVYSFSA-N
MW190.22 g/mol
LogP0.58
Rot. Bonds5

About (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid

(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid (PubChem CID 142663150) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid
PubChem CID142663150
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid
SMILESCC(CC/C(F)=C/C(N)N)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-5(8(12)13)2-3-6(9)4-7(10)11/h4-5,7H,2-3,10-11H2,1H3,(H,12,13)/b6-4-
InChIKeyBCFWFUDPZJFCNS-XQRVVYSFSA-N
XLogP0.58
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The IUPAC name of (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid (CID 142663150) is (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid.
What is the SMILES notation for (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The canonical SMILES for (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid is CC(CC/C(F)=C/C(N)N)C(=O)O.
What is the InChIKey of (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The InChIKey is BCFWFUDPZJFCNS-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(8(12)13)2-3-6(9)4-7(10)11/h4-5,7H,2-3,10-11H2,1H3,(H,12,13)/b6-4-.
What are the key properties of (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
(Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid has a molecular weight of 190.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7-diamino-5-fluoro-2-methylhept-5-enoic acid is sourced from PubChem (CID 142663150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).