methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate

C13H16ClFNO4P — CID 58664077

IUPACmethyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NP(=O)(Cl)Oc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16ClFNO4P/c1-19-12(17)13(8-2-3-9-13)16-21(14,18)20-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyQYEKEDBUDOWJAD-UHFFFAOYSA-N
MW335.70 g/mol
LogP3.63
Rot. Bonds5

About methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate

methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate (PubChem CID 58664077) has the molecular formula C13H16ClFNO4P and a molecular weight of 335.70 g/mol. Its IUPAC name is methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate
PubChem CID58664077
Molecular FormulaC13H16ClFNO4P
Molecular Weight335.70 g/mol
Exact Mass335.05
IUPAC Namemethyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NP(=O)(Cl)Oc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16ClFNO4P/c1-19-12(17)13(8-2-3-9-13)16-21(14,18)20-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyQYEKEDBUDOWJAD-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate (CID 58664077) is methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NP(=O)(Cl)Oc2ccc(F)cc2)CCCC1.
What is the InChIKey of methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate?
The InChIKey is QYEKEDBUDOWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFNO4P/c1-19-12(17)13(8-2-3-9-13)16-21(14,18)20-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate?
methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate has a molecular weight of 335.70 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 58664077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).