2-butan-2-yl-2-fluoro-3-methylhexanamide

C11H22FNO — CID 54304177

IUPAC2-butan-2-yl-2-fluoro-3-methylhexanamide
SMILESCCCC(C)C(F)(C(N)=O)C(C)CC
InChIInChI=1S/C11H22FNO/c1-5-7-9(4)11(12,10(13)14)8(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14)
InChIKeySGIIFULNDRSRLY-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.66
Rot. Bonds6

About 2-butan-2-yl-2-fluoro-3-methylhexanamide

2-butan-2-yl-2-fluoro-3-methylhexanamide (PubChem CID 54304177) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-butan-2-yl-2-fluoro-3-methylhexanamide.

Molecular Properties

Compound Name2-butan-2-yl-2-fluoro-3-methylhexanamide
PubChem CID54304177
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-butan-2-yl-2-fluoro-3-methylhexanamide
SMILESCCCC(C)C(F)(C(N)=O)C(C)CC
InChIInChI=1S/C11H22FNO/c1-5-7-9(4)11(12,10(13)14)8(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14)
InChIKeySGIIFULNDRSRLY-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-2-propan-2-ylhexanamide
CID 56985288
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883
(3-amino-4-methylheptan-3-yl)carbamic acid
CID 87603928
3,3-difluoro-4-methylheptane
CID 146477960
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
3-amino-3-fluoro-5-methyl-2-oxooctanamide
CID 123627486
2-fluoro-2-propan-2-ylhexanamide
CID 54054711
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
2,3,3,4-tetramethylhexanamide
CID 90191700
(3S)-3-methyl-2-oxohexanamide
CID 145466724

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-fluoro-3-methylhexanamide?
The IUPAC name of 2-butan-2-yl-2-fluoro-3-methylhexanamide (CID 54304177) is 2-butan-2-yl-2-fluoro-3-methylhexanamide.
What is the SMILES notation for 2-butan-2-yl-2-fluoro-3-methylhexanamide?
The canonical SMILES for 2-butan-2-yl-2-fluoro-3-methylhexanamide is CCCC(C)C(F)(C(N)=O)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2-fluoro-3-methylhexanamide?
The InChIKey is SGIIFULNDRSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-5-7-9(4)11(12,10(13)14)8(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 2-butan-2-yl-2-fluoro-3-methylhexanamide?
2-butan-2-yl-2-fluoro-3-methylhexanamide has a molecular weight of 203.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-fluoro-3-methylhexanamide is sourced from PubChem (CID 54304177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).