3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile

C9H18FN2OP — CID 10998550

IUPAC3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(F)OCCC#N
InChIInChI=1S/C9H18FN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyGWONHJCLQKIXJH-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.23
Rot. Bonds6

About 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile

3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile (PubChem CID 10998550) has the molecular formula C9H18FN2OP and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile
PubChem CID10998550
Molecular FormulaC9H18FN2OP
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(F)OCCC#N
InChIInChI=1S/C9H18FN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyGWONHJCLQKIXJH-UHFFFAOYSA-N
XLogP3.23
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile?
The IUPAC name of 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile (CID 10998550) is 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile is CC(C)N(C(C)C)P(F)OCCC#N.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile?
The InChIKey is GWONHJCLQKIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile?
3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile has a molecular weight of 220.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-fluorophosphanyl]oxypropanenitrile is sourced from PubChem (CID 10998550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).