ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine

C14H29FN3OP — CID 145397126

IUPACethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine
SMILESCC.CCC(OC(C)C)c1cnc(C)cn1.CN(F)P
InChIInChI=1S/C11H18N2O.C2H6.CH5FNP/c1-5-11(14-8(2)3)10-7-12-9(4)6-13-10;1-2;1-3(2)4/h6-8,11H,5H2,1-4H3;1-2H3;4H2,1H3
InChIKeyBTWNHRFDDTVMDM-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.28
Rot. Bonds4

About ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine

ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine (PubChem CID 145397126) has the molecular formula C14H29FN3OP and a molecular weight of 305.38 g/mol. Its IUPAC name is ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine.

Molecular Properties

Compound Nameethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine
PubChem CID145397126
Molecular FormulaC14H29FN3OP
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Nameethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine
SMILESCC.CCC(OC(C)C)c1cnc(C)cn1.CN(F)P
InChIInChI=1S/C11H18N2O.C2H6.CH5FNP/c1-5-11(14-8(2)3)10-7-12-9(4)6-13-10;1-2;1-3(2)4/h6-8,11H,5H2,1-4H3;1-2H3;4H2,1H3
InChIKeyBTWNHRFDDTVMDM-UHFFFAOYSA-N
XLogP4.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine?
The IUPAC name of ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine (CID 145397126) is ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine.
What is the SMILES notation for ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine?
The canonical SMILES for ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine is CC.CCC(OC(C)C)c1cnc(C)cn1.CN(F)P.
What is the InChIKey of ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine?
The InChIKey is BTWNHRFDDTVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6.CH5FNP/c1-5-11(14-8(2)3)10-7-12-9(4)6-13-10;1-2;1-3(2)4/h6-8,11H,5H2,1-4H3;1-2H3;4H2,1H3.
What are the key properties of ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine?
ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine has a molecular weight of 305.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-fluoro-N-phosphanylmethanamine;2-methyl-5-(1-propan-2-yloxypropyl)pyrazine is sourced from PubChem (CID 145397126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).