7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid

C17H24FNO2 — CID 143471703

IUPAC7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid
SMILESC=NCC(C)c1ccc(F)c(CCCCCCC(=O)O)c1
InChIInChI=1S/C17H24FNO2/c1-13(12-19-2)14-9-10-16(18)15(11-14)7-5-3-4-6-8-17(20)21/h9-11,13H,2-8,12H2,1H3,(H,20,21)
InChIKeyATVWGQZOFLHBPC-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.21
Rot. Bonds10

About 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid

7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid (PubChem CID 143471703) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid
PubChem CID143471703
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid
SMILESC=NCC(C)c1ccc(F)c(CCCCCCC(=O)O)c1
InChIInChI=1S/C17H24FNO2/c1-13(12-19-2)14-9-10-16(18)15(11-14)7-5-3-4-6-8-17(20)21/h9-11,13H,2-8,12H2,1H3,(H,20,21)
InChIKeyATVWGQZOFLHBPC-UHFFFAOYSA-N
XLogP4.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377
5-(3,4-difluorophenyl)-6-methylheptanoic acid
CID 112512690
5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
CID 59134726
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
5-[(5-amino-2-fluorophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 59419163

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid?
The IUPAC name of 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid (CID 143471703) is 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid.
What is the SMILES notation for 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid?
The canonical SMILES for 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid is C=NCC(C)c1ccc(F)c(CCCCCCC(=O)O)c1.
What is the InChIKey of 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid?
The InChIKey is ATVWGQZOFLHBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(12-19-2)14-9-10-16(18)15(11-14)7-5-3-4-6-8-17(20)21/h9-11,13H,2-8,12H2,1H3,(H,20,21).
What are the key properties of 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid?
7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid has a molecular weight of 293.38 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid is sourced from PubChem (CID 143471703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).