4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide

C9H17FNO2P — CID 174369130

IUPAC4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)(P)CC1
InChIInChI=1S/C9H17FNO2P/c1-11(13-2)8(12)7-3-5-9(10,14)6-4-7/h7H,3-6,14H2,1-2H3
InChIKeyLHVCICJXMQSUAC-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.74
Rot. Bonds2

About 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide

4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide (PubChem CID 174369130) has the molecular formula C9H17FNO2P and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide
PubChem CID174369130
Molecular FormulaC9H17FNO2P
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)(P)CC1
InChIInChI=1S/C9H17FNO2P/c1-11(13-2)8(12)7-3-5-9(10,14)6-4-7/h7H,3-6,14H2,1-2H3
InChIKeyLHVCICJXMQSUAC-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide (CID 174369130) is 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(F)(P)CC1.
What is the InChIKey of 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide?
The InChIKey is LHVCICJXMQSUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FNO2P/c1-11(13-2)8(12)7-3-5-9(10,14)6-4-7/h7H,3-6,14H2,1-2H3.
What are the key properties of 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide?
4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide has a molecular weight of 221.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxy-N-methyl-4-phosphanylcyclohexane-1-carboxamide is sourced from PubChem (CID 174369130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).