2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid

C18H22FNO2 — CID 129156641

IUPAC2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid
SMILESC=C(c1cc(F)ccc1/N=C/C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C18H22FNO2/c1-3-20-17-9-8-15(19)11-16(17)12(2)14-6-4-13(5-7-14)10-18(21)22/h3,8-9,11,13-14H,2,4-7,10H2,1H3,(H,21,22)/b20-3+
InChIKeyFNQQQPSVSPIAGA-BIMFAAKUSA-N
MW303.38 g/mol
LogP4.84
Rot. Bonds5

About 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid

2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid (PubChem CID 129156641) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid
PubChem CID129156641
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid
SMILESC=C(c1cc(F)ccc1/N=C/C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C18H22FNO2/c1-3-20-17-9-8-15(19)11-16(17)12(2)14-6-4-13(5-7-14)10-18(21)22/h3,8-9,11,13-14H,2,4-7,10H2,1H3,(H,21,22)/b20-3+
InChIKeyFNQQQPSVSPIAGA-BIMFAAKUSA-N
XLogP4.84
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3H-Indol-3-yl)acetic acid
CID 15796511
(4-{[(E)-(4-fluorophenyl)methylidene]amino}phenyl)acetic acid
CID 4442652
Methyl 2-(3-fluorophenyl)-3-(3-fluorophenyl)iminopropanoate
CID 90725289
(2-Carboxy-2-phenylethylidene)-(4-fluorophenyl)-methylazanium
CID 123946325
ethyl 6-fluoro-4-(oxomethylidene)-3H-quinoline-3-carboxylate
CID 141421338
4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid
CID 142786731
3-(4-Fluorophenyl)imino-2-phenylpropanoic acid
CID 144299920
4-(3-Fluorophenyl)imino-2-phenylbutanoic acid
CID 144299966
4-[4-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylphenyl]imino-5-methylheptanoic acid
CID 145044331
8-[3-Fluoro-4-(4-isocyanophenyl)phenyl]octanoic acid
CID 153425496
2-(7-fluoro-3H-indol-3-yl)acetic acid
CID 154626630
2-[(3aS,5S,6aS)-5-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]propanoic acid
CID 155087661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid (CID 129156641) is 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid is C=C(c1cc(F)ccc1/N=C/C)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid?
The InChIKey is FNQQQPSVSPIAGA-BIMFAAKUSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-20-17-9-8-15(19)11-16(17)12(2)14-6-4-13(5-7-14)10-18(21)22/h3,8-9,11,13-14H,2,4-7,10H2,1H3,(H,21,22)/b20-3+.
What are the key properties of 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid?
2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid has a molecular weight of 303.38 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 129156641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).