3-(3-fluorophenoxy)-2,2-dimethylpropanamide

C11H14FNO2 — CID 82078068

IUPAC3-(3-fluorophenoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COc1cccc(F)c1)C(N)=O
InChIInChI=1S/C11H14FNO2/c1-11(2,10(13)14)7-15-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyIWCISQRPBUQOCQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.72
Rot. Bonds4

About 3-(3-fluorophenoxy)-2,2-dimethylpropanamide

3-(3-fluorophenoxy)-2,2-dimethylpropanamide (PubChem CID 82078068) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2,2-dimethylpropanamide
PubChem CID82078068
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(3-fluorophenoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COc1cccc(F)c1)C(N)=O
InChIInChI=1S/C11H14FNO2/c1-11(2,10(13)14)7-15-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyIWCISQRPBUQOCQ-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
2,2-dimethyl-3-(3-nitrophenoxy)propanamide
CID 82041475
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 159677204
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide
CID 116694302
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
methyl 3-(3-fluorophenoxy)-2-(tritylamino)propanoate
CID 118862708
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-fluorophenoxy)-2,2-dimethylpropanamide (CID 82078068) is 3-(3-fluorophenoxy)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-2,2-dimethylpropanamide is CC(C)(COc1cccc(F)c1)C(N)=O.
What is the InChIKey of 3-(3-fluorophenoxy)-2,2-dimethylpropanamide?
The InChIKey is IWCISQRPBUQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(2,10(13)14)7-15-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-(3-fluorophenoxy)-2,2-dimethylpropanamide?
3-(3-fluorophenoxy)-2,2-dimethylpropanamide has a molecular weight of 211.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2,2-dimethylpropanamide is sourced from PubChem (CID 82078068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).