2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid

C16H20FNO2 — CID 67386288

IUPAC2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid
SMILESCN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)O)CC1
InChIInChI=1S/C16H20FNO2/c1-18(2)16(13-3-5-14(17)6-4-13)9-7-12(8-10-16)11-15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)/b12-11-
InChIKeyASKCGNKZEVITPG-QXMHVHEDSA-N
MW277.34 g/mol
LogP3.17
Rot. Bonds3

About 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid

2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid (PubChem CID 67386288) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid
PubChem CID67386288
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid
SMILESCN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)O)CC1
InChIInChI=1S/C16H20FNO2/c1-18(2)16(13-3-5-14(17)6-4-13)9-7-12(8-10-16)11-15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)/b12-11-
InChIKeyASKCGNKZEVITPG-QXMHVHEDSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid (CID 67386288) is 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid is CN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid?
The InChIKey is ASKCGNKZEVITPG-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-18(2)16(13-3-5-14(17)6-4-13)9-7-12(8-10-16)11-15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)/b12-11-.
What are the key properties of 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid?
2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid has a molecular weight of 277.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-(4-fluorophenyl)cyclohexylidene]acetic acid is sourced from PubChem (CID 67386288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).