N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane

C14H30F3N2O2P — CID 158284909

IUPACN-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
SMILESC.CC(C)N(C(C)C)P(C)OCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H26F3N2O2P.CH4/c1-10(2)18(11(3)4)21(5)20-9-7-6-8-17-12(19)13(14,15)16;/h10-11H,6-9H2,1-5H3,(H,17,19);1H4
InChIKeyGKQTYHAEJFWNGM-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.16
Rot. Bonds9

About N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane

N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane (PubChem CID 158284909) has the molecular formula C14H30F3N2O2P and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane.

Molecular Properties

Compound NameN-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
PubChem CID158284909
Molecular FormulaC14H30F3N2O2P
Molecular Weight346.37 g/mol
Exact Mass346.20
IUPAC NameN-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
SMILESC.CC(C)N(C(C)C)P(C)OCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H26F3N2O2P.CH4/c1-10(2)18(11(3)4)21(5)20-9-7-6-8-17-12(19)13(14,15)16;/h10-11H,6-9H2,1-5H3,(H,17,19);1H4
InChIKeyGKQTYHAEJFWNGM-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 54183086
N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
CID 89002790
N-[6-[[di(propan-2-yl)amino]-(3-methyliminopropoxy)phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 176716502
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
CID 91475928
oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
CID 11668829
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 88925286
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
4-[(2,2,2-trifluoroacetyl)amino]butyl dihydrogen phosphate
CID 87493571

Frequently Asked Questions

What is the IUPAC name of N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane?
The IUPAC name of N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane (CID 158284909) is N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane.
What is the SMILES notation for N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane?
The canonical SMILES for N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane is C.CC(C)N(C(C)C)P(C)OCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane?
The InChIKey is GKQTYHAEJFWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N2O2P.CH4/c1-10(2)18(11(3)4)21(5)20-9-7-6-8-17-12(19)13(14,15)16;/h10-11H,6-9H2,1-5H3,(H,17,19);1H4.
What are the key properties of N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane?
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane has a molecular weight of 346.37 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane is sourced from PubChem (CID 158284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).