N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine

C17H14F6NO5P — CID 3105325

IUPACN-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NP(=O)(OCC(F)(F)F)OCC(F)(F)F)oc1ccccc12
InChIInChI=1S/C17H14F6NO5P/c1-26-15-6-11-10-4-2-3-5-13(10)29-14(11)7-12(15)24-30(25,27-8-16(18,19)20)28-9-17(21,22)23/h2-7H,8-9H2,1H3,(H,24,25)
InChIKeySRZVPRJTLVGNQY-UHFFFAOYSA-N
MW457.26 g/mol
LogP6.27
Rot. Bonds7

About N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine

N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine (PubChem CID 3105325) has the molecular formula C17H14F6NO5P and a molecular weight of 457.26 g/mol. Its IUPAC name is N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine.

Molecular Properties

Compound NameN-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine
PubChem CID3105325
Molecular FormulaC17H14F6NO5P
Molecular Weight457.26 g/mol
Exact Mass457.05
IUPAC NameN-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine
SMILESCOc1cc2c(cc1NP(=O)(OCC(F)(F)F)OCC(F)(F)F)oc1ccccc12
InChIInChI=1S/C17H14F6NO5P/c1-26-15-6-11-10-4-2-3-5-13(10)29-14(11)7-12(15)24-30(25,27-8-16(18,19)20)28-9-17(21,22)23/h2-7H,8-9H2,1H3,(H,24,25)
InChIKeySRZVPRJTLVGNQY-UHFFFAOYSA-N
XLogP6.27
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.26
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
CID 46680459
N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4766609
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 2457636
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine?
The IUPAC name of N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine (CID 3105325) is N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine.
What is the SMILES notation for N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine?
The canonical SMILES for N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine is COc1cc2c(cc1NP(=O)(OCC(F)(F)F)OCC(F)(F)F)oc1ccccc12.
What is the InChIKey of N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine?
The InChIKey is SRZVPRJTLVGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6NO5P/c1-26-15-6-11-10-4-2-3-5-13(10)29-14(11)7-12(15)24-30(25,27-8-16(18,19)20)28-9-17(21,22)23/h2-7H,8-9H2,1H3,(H,24,25).
What are the key properties of N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine?
N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine has a molecular weight of 457.26 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine is sourced from PubChem (CID 3105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).