1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one

C10H20FNO — CID 154670217

IUPAC1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CNC(C)(F)C(C)C
InChIInChI=1S/C10H20FNO/c1-7(2)9(13)6-12-10(5,11)8(3)4/h7-8,12H,6H2,1-5H3
InChIKeyGMTBCIODNWXBKO-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.14
Rot. Bonds5

About 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one

1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one (PubChem CID 154670217) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one
PubChem CID154670217
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CNC(C)(F)C(C)C
InChIInChI=1S/C10H20FNO/c1-7(2)9(13)6-12-10(5,11)8(3)4/h7-8,12H,6H2,1-5H3
InChIKeyGMTBCIODNWXBKO-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one (CID 154670217) is 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one is CC(C)C(=O)CNC(C)(F)C(C)C.
What is the InChIKey of 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one?
The InChIKey is GMTBCIODNWXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(2)9(13)6-12-10(5,11)8(3)4/h7-8,12H,6H2,1-5H3.
What are the key properties of 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one?
1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one has a molecular weight of 189.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methylbutan-2-yl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 154670217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).