(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine

C12H17F3NO3P — CID 171192056

IUPAC(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3NO3P/c1-3-18-20(17,19-4-2)11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m1/s1
InChIKeyWTVFQRLVBGSDFM-LLVKDONJSA-N
MW311.24 g/mol
LogP3.93
Rot. Bonds6

About (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine

(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 171192056) has the molecular formula C12H17F3NO3P and a molecular weight of 311.24 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID171192056
Molecular FormulaC12H17F3NO3P
Molecular Weight311.24 g/mol
Exact Mass311.09
IUPAC Name(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3NO3P/c1-3-18-20(17,19-4-2)11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m1/s1
InChIKeyWTVFQRLVBGSDFM-LLVKDONJSA-N
XLogP3.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
(R)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171192268
(S)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171191850
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
CID 171192431
(R)-diethoxyphosphoryl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171192259
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
[4-[(R)-amino(diethoxyphosphoryl)methyl]phenyl] acetate
CID 171192289
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
(S)-diethoxyphosphoryl-[3-(trifluoromethoxy)phenyl]methanamine
CID 171191880
tert-butyl 2-diethoxyphosphoryl-3-methyl-4-oxo-4-[1-[4-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 174214416

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine (CID 171192056) is (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine is CCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WTVFQRLVBGSDFM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17F3NO3P/c1-3-18-20(17,19-4-2)11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine?
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 311.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171192056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).