ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate

C10H19F3NO6P — CID 25108208

IUPACethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CC(OP(=O)(OC)OC)C(F)(F)F
InChIInChI=1S/C10H19F3NO6P/c1-5-19-9(15)14-7(2)6-8(10(11,12)13)20-21(16,17-3)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyGEPVXFTYRVVFHS-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.86
Rot. Bonds8

About ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate

ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate (PubChem CID 25108208) has the molecular formula C10H19F3NO6P and a molecular weight of 337.23 g/mol. Its IUPAC name is ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate
PubChem CID25108208
Molecular FormulaC10H19F3NO6P
Molecular Weight337.23 g/mol
Exact Mass337.09
IUPAC Nameethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CC(OP(=O)(OC)OC)C(F)(F)F
InChIInChI=1S/C10H19F3NO6P/c1-5-19-9(15)14-7(2)6-8(10(11,12)13)20-21(16,17-3)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyGEPVXFTYRVVFHS-UHFFFAOYSA-N
XLogP2.86
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4-diethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate
CID 25108204
ethyl (2R)-2-dimethoxyphosphoryloxy-3,3,3-trifluoropropanoate
CID 7038863
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
ethyl N-[4-(ethoxycarbonylamino)pentan-2-yl]-N-methylcarbamate
CID 142322380
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 610019
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate?
The IUPAC name of ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate (CID 25108208) is ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate?
The canonical SMILES for ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate is CCOC(=O)NC(C)CC(OP(=O)(OC)OC)C(F)(F)F.
What is the InChIKey of ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate?
The InChIKey is GEPVXFTYRVVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3NO6P/c1-5-19-9(15)14-7(2)6-8(10(11,12)13)20-21(16,17-3)18-4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate?
ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate has a molecular weight of 337.23 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-dimethoxyphosphoryloxy-5,5,5-trifluoropentan-2-yl)carbamate is sourced from PubChem (CID 25108208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).