methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate

C9H9F4N2O3P — CID 166824016

IUPACmethyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ncc(C(F)(F)F)cc1OC(F)P
InChIInChI=1S/C9H9F4N2O3P/c1-17-8(16)15-6-5(18-7(10)19)2-4(3-14-6)9(11,12)13/h2-3,7H,19H2,1H3,(H,14,15,16)
InChIKeyXSFKAKJRNIOZKC-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.79
Rot. Bonds3

About methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate

methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate (PubChem CID 166824016) has the molecular formula C9H9F4N2O3P and a molecular weight of 300.15 g/mol. Its IUPAC name is methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate
PubChem CID166824016
Molecular FormulaC9H9F4N2O3P
Molecular Weight300.15 g/mol
Exact Mass300.03
IUPAC Namemethyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ncc(C(F)(F)F)cc1OC(F)P
InChIInChI=1S/C9H9F4N2O3P/c1-17-8(16)15-6-5(18-7(10)19)2-4(3-14-6)9(11,12)13/h2-3,7H,19H2,1H3,(H,14,15,16)
InChIKeyXSFKAKJRNIOZKC-UHFFFAOYSA-N
XLogP2.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.79
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

methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155729088
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 535995
ethyl N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]carbamothioyl]carbamate
CID 21464448
2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90093440
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
[2-[[(Z)-[amino-(1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-yl)methylidene]carbamothioyl]amino]-5-(trifluoromethyl)-3-pyridinyl] N-methylcarbamate
CID 155230401
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate (CID 166824016) is methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate is COC(=O)Nc1ncc(C(F)(F)F)cc1OC(F)P.
What is the InChIKey of methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate?
The InChIKey is XSFKAKJRNIOZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N2O3P/c1-17-8(16)15-6-5(18-7(10)19)2-4(3-14-6)9(11,12)13/h2-3,7H,19H2,1H3,(H,14,15,16).
What are the key properties of methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate?
methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate has a molecular weight of 300.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 166824016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).