ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C14H24F6NO5P — CID 2781214

IUPACethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6NO5P/c1-4-7-9-25-27(23,26-10-8-5-2)12(13(15,16)17,14(18,19)20)21-11(22)24-6-3/h4-10H2,1-3H3,(H,21,22)
InChIKeyVBZGXFZYJSLYMP-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.38
Rot. Bonds11

About ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 2781214) has the molecular formula C14H24F6NO5P and a molecular weight of 431.31 g/mol. Its IUPAC name is ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID2781214
Molecular FormulaC14H24F6NO5P
Molecular Weight431.31 g/mol
Exact Mass431.13
IUPAC Nameethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6NO5P/c1-4-7-9-25-27(23,26-10-8-5-2)12(13(15,16)17,14(18,19)20)21-11(22)24-6-3/h4-10H2,1-3H3,(H,21,22)
InChIKeyVBZGXFZYJSLYMP-UHFFFAOYSA-N
XLogP5.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.31
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 15001729
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
ethyl (2S)-2-[butoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864759
hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672156
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
1-O-butyl 3-O-ethyl 2-hydroxy-2-(trifluoromethyl)propanedioate
CID 156762113
ethyl 2-chloro-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 2781158
[dichloro(dibutoxyphosphoryl)methyl]phosphonic acid
CID 54482610
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
(4R)-4-amino-4-diethoxyphosphoryl-5,5,5-trifluoropentan-2-one
CID 132510059
(4S)-4-amino-4-diethoxyphosphoryl-5,5,5-trifluoropentan-2-one
CID 132510058

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 2781214) is ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is CCCCOP(=O)(OCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is VBZGXFZYJSLYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6NO5P/c1-4-7-9-25-27(23,26-10-8-5-2)12(13(15,16)17,14(18,19)20)21-11(22)24-6-3/h4-10H2,1-3H3,(H,21,22).
What are the key properties of ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 431.31 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-dibutoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 2781214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).