N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine

C11H16F2NO2P — CID 53392367

IUPACN-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine
SMILESCC(C)OP(=O)(NCc1ccccc1)C(F)F
InChIInChI=1S/C11H16F2NO2P/c1-9(2)16-17(15,11(12)13)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)
InChIKeyXIBQHPUHKGKTNN-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.62
Rot. Bonds6

About N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine

N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine (PubChem CID 53392367) has the molecular formula C11H16F2NO2P and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine
PubChem CID53392367
Molecular FormulaC11H16F2NO2P
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine
SMILESCC(C)OP(=O)(NCc1ccccc1)C(F)F
InChIInChI=1S/C11H16F2NO2P/c1-9(2)16-17(15,11(12)13)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)
InChIKeyXIBQHPUHKGKTNN-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
N-[(1R)-1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
CID 15696112
N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
CID 15696113
benzylsulfanyl dipropan-2-yl phosphate
CID 57006297
(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
CID 11484292
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871

Frequently Asked Questions

What is the IUPAC name of N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine?
The IUPAC name of N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine (CID 53392367) is N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine.
What is the SMILES notation for N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine?
The canonical SMILES for N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine is CC(C)OP(=O)(NCc1ccccc1)C(F)F.
What is the InChIKey of N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine?
The InChIKey is XIBQHPUHKGKTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2NO2P/c1-9(2)16-17(15,11(12)13)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine?
N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine has a molecular weight of 263.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoromethyl(propan-2-yloxy)phosphoryl]-1-phenylmethanamine is sourced from PubChem (CID 53392367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).