cyclohexylmethyl 4-amino-2-fluorobenzoate

C14H18FNO2 — CID 55125027

IUPACcyclohexylmethyl 4-amino-2-fluorobenzoate
SMILESNc1ccc(C(=O)OCC2CCCCC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-8-11(16)6-7-12(13)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2
InChIKeyRPFRELNCLWDPES-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.14
Rot. Bonds3

About cyclohexylmethyl 4-amino-2-fluorobenzoate

cyclohexylmethyl 4-amino-2-fluorobenzoate (PubChem CID 55125027) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is cyclohexylmethyl 4-amino-2-fluorobenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 4-amino-2-fluorobenzoate
PubChem CID55125027
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namecyclohexylmethyl 4-amino-2-fluorobenzoate
SMILESNc1ccc(C(=O)OCC2CCCCC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-8-11(16)6-7-12(13)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2
InChIKeyRPFRELNCLWDPES-UHFFFAOYSA-N
XLogP3.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopentylmethyl 2-fluoro-5-methylbenzoate
CID 62958889
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
CID 114088299
cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
3-fluoropropyl 4-amino-2-fluorobenzoate
CID 81113664
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-amino-2-fluorobenzoate?
The IUPAC name of cyclohexylmethyl 4-amino-2-fluorobenzoate (CID 55125027) is cyclohexylmethyl 4-amino-2-fluorobenzoate.
What is the SMILES notation for cyclohexylmethyl 4-amino-2-fluorobenzoate?
The canonical SMILES for cyclohexylmethyl 4-amino-2-fluorobenzoate is Nc1ccc(C(=O)OCC2CCCCC2)c(F)c1.
What is the InChIKey of cyclohexylmethyl 4-amino-2-fluorobenzoate?
The InChIKey is RPFRELNCLWDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-8-11(16)6-7-12(13)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2.
What are the key properties of cyclohexylmethyl 4-amino-2-fluorobenzoate?
cyclohexylmethyl 4-amino-2-fluorobenzoate has a molecular weight of 251.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-amino-2-fluorobenzoate is sourced from PubChem (CID 55125027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).