N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C15H30F5N2OP — CID 155410275

IUPACN-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCC(F)(F)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H30F5N2OP/c1-10(2)21(11(3)4)24(22(12(5)6)13(7)8)23-9-14(16,17)15(18,19)20/h10-13H,9H2,1-8H3
InChIKeyMYVNSBZKYQFNLK-UHFFFAOYSA-N
MW380.38 g/mol
LogP5.67
Rot. Bonds9

About N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155410275) has the molecular formula C15H30F5N2OP and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID155410275
Molecular FormulaC15H30F5N2OP
Molecular Weight380.38 g/mol
Exact Mass380.20
IUPAC NameN-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCC(F)(F)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H30F5N2OP/c1-10(2)21(11(3)4)24(22(12(5)6)13(7)8)23-9-14(16,17)15(18,19)20/h10-13H,9H2,1-8H3
InChIKeyMYVNSBZKYQFNLK-UHFFFAOYSA-N
XLogP5.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 90129499
3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
CID 14512779
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
CID 11806562
S-[3-bis[di(propan-2-yl)amino]phosphanyloxypropoxymethyl] 2-methylpropanethioate
CID 45377370
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
CID 18735820
S-[3-bis[di(propan-2-yl)amino]phosphanyloxypropoxymethyl] N-(3-ethylpentan-3-yl)carbamothioate
CID 91371541
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
N-[[di(propan-2-yl)amino]-[(2-methoxyphenyl)methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410244
S-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxymethyl] 3-aminopropanethioate
CID 89082735
N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282

Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 155410275) is N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(OCC(F)(F)C(F)(F)F)N(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is MYVNSBZKYQFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F5N2OP/c1-10(2)21(11(3)4)24(22(12(5)6)13(7)8)23-9-14(16,17)15(18,19)20/h10-13H,9H2,1-8H3.
What are the key properties of N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 380.38 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155410275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).