7-amino-6-fluoro-2-methylhept-5-enoic acid

C8H14FNO2 — CID 72507528

IUPAC7-amino-6-fluoro-2-methylhept-5-enoic acid
SMILESCC(CCC=C(F)CN)C(=O)O
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyBWFZVTOOVXJORY-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.30
Rot. Bonds5

About 7-amino-6-fluoro-2-methylhept-5-enoic acid

7-amino-6-fluoro-2-methylhept-5-enoic acid (PubChem CID 72507528) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 7-amino-6-fluoro-2-methylhept-5-enoic acid.

Molecular Properties

Compound Name7-amino-6-fluoro-2-methylhept-5-enoic acid
PubChem CID72507528
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name7-amino-6-fluoro-2-methylhept-5-enoic acid
SMILESCC(CCC=C(F)CN)C(=O)O
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyBWFZVTOOVXJORY-UHFFFAOYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-fluoro-2-methylhept-5-enoic acid?
The IUPAC name of 7-amino-6-fluoro-2-methylhept-5-enoic acid (CID 72507528) is 7-amino-6-fluoro-2-methylhept-5-enoic acid.
What is the SMILES notation for 7-amino-6-fluoro-2-methylhept-5-enoic acid?
The canonical SMILES for 7-amino-6-fluoro-2-methylhept-5-enoic acid is CC(CCC=C(F)CN)C(=O)O.
What is the InChIKey of 7-amino-6-fluoro-2-methylhept-5-enoic acid?
The InChIKey is BWFZVTOOVXJORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of 7-amino-6-fluoro-2-methylhept-5-enoic acid?
7-amino-6-fluoro-2-methylhept-5-enoic acid has a molecular weight of 175.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-fluoro-2-methylhept-5-enoic acid is sourced from PubChem (CID 72507528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).