N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride

C8H17FN2 — CID 154927286

IUPACN-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride
SMILESCC/N=C(\F)N(C)C(C)CC
InChIInChI=1S/C8H17FN2/c1-5-7(3)11(4)8(9)10-6-2/h7H,5-6H2,1-4H3/b10-8+
InChIKeyQQHOSPDKFVQABL-CSKARUKUSA-N
MW160.24 g/mol
LogP2.06
Rot. Bonds3

About N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride

N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride (PubChem CID 154927286) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride
PubChem CID154927286
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC NameN-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride
SMILESCC/N=C(\F)N(C)C(C)CC
InChIInChI=1S/C8H17FN2/c1-5-7(3)11(4)8(9)10-6-2/h7H,5-6H2,1-4H3/b10-8+
InChIKeyQQHOSPDKFVQABL-CSKARUKUSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride?
The IUPAC name of N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride (CID 154927286) is N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride.
What is the SMILES notation for N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride?
The canonical SMILES for N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride is CC/N=C(\F)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride?
The InChIKey is QQHOSPDKFVQABL-CSKARUKUSA-N. The full InChI is InChI=1S/C8H17FN2/c1-5-7(3)11(4)8(9)10-6-2/h7H,5-6H2,1-4H3/b10-8+.
What are the key properties of N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride?
N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride has a molecular weight of 160.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-ethyl-N-methylcarbamimidoyl fluoride is sourced from PubChem (CID 154927286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).