N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide

C10H20FNO — CID 130165371

IUPACN-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)F)C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-7(9(2,3)4)12-8(13)10(5,6)11/h7H,1-6H3,(H,12,13)
InChIKeyGRXVUWNFCHCCQX-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.29
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide

N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130165371) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide
PubChem CID130165371
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)F)C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-7(9(2,3)4)12-8(13)10(5,6)11/h7H,1-6H3,(H,12,13)
InChIKeyGRXVUWNFCHCCQX-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide (CID 130165371) is N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide is CC(NC(=O)C(C)(C)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is GRXVUWNFCHCCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(9(2,3)4)12-8(13)10(5,6)11/h7H,1-6H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide?
N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 189.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).