2-[fluoro(phenyl)methyl]-2-methylbutanamide

C12H16FNO — CID 66580068

IUPAC2-[fluoro(phenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(C(N)=O)C(F)c1ccccc1
InChIInChI=1S/C12H16FNO/c1-3-12(2,11(14)15)10(13)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H2,14,15)
InChIKeyTWKWFSCUDMEHFV-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.60
Rot. Bonds4

About 2-[fluoro(phenyl)methyl]-2-methylbutanamide

2-[fluoro(phenyl)methyl]-2-methylbutanamide (PubChem CID 66580068) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[fluoro(phenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-[fluoro(phenyl)methyl]-2-methylbutanamide
PubChem CID66580068
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[fluoro(phenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(C(N)=O)C(F)c1ccccc1
InChIInChI=1S/C12H16FNO/c1-3-12(2,11(14)15)10(13)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H2,14,15)
InChIKeyTWKWFSCUDMEHFV-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
(2R)-2-phenylbutanamide
CID 139147476
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
CID 62877842
(2-bromo-1-fluoro-2-methylpropyl)benzene
CID 15668390
1-methoxy-4,4-dimethyl-2-phenylhexan-3-one
CID 70904640
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
benzene;ethane;3-phenylpentan-2-one;bis(1,1,1-trifluoroethane)
CID 91500791
4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
CID 175410360
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380
ethyl 2-cyano-3-fluoro-2-hydroxy-3-phenylpropanoate
CID 11139141
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(phenyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-[fluoro(phenyl)methyl]-2-methylbutanamide (CID 66580068) is 2-[fluoro(phenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-[fluoro(phenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-[fluoro(phenyl)methyl]-2-methylbutanamide is CCC(C)(C(N)=O)C(F)c1ccccc1.
What is the InChIKey of 2-[fluoro(phenyl)methyl]-2-methylbutanamide?
The InChIKey is TWKWFSCUDMEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-12(2,11(14)15)10(13)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H2,14,15).
What are the key properties of 2-[fluoro(phenyl)methyl]-2-methylbutanamide?
2-[fluoro(phenyl)methyl]-2-methylbutanamide has a molecular weight of 209.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(phenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 66580068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).