1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane

C4H2F10NOP — CID 87118110

IUPAC1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
SMILESNP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F10NOP/c5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h(H2,15,16)
InChIKeySURFJOUGDBQJTP-UHFFFAOYSA-N
MW301.02 g/mol
LogP3.53
Rot. Bonds2

About 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane

1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane (PubChem CID 87118110) has the molecular formula C4H2F10NOP and a molecular weight of 301.02 g/mol. Its IUPAC name is 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
PubChem CID87118110
Molecular FormulaC4H2F10NOP
Molecular Weight301.02 g/mol
Exact Mass300.97
IUPAC Name1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
SMILESNP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F10NOP/c5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h(H2,15,16)
InChIKeySURFJOUGDBQJTP-UHFFFAOYSA-N
XLogP3.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane (CID 87118110) is 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane is NP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The InChIKey is SURFJOUGDBQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F10NOP/c5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h(H2,15,16).
What are the key properties of 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane has a molecular weight of 301.02 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 87118110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).