N-(2-fluoro-2,3,3-trimethylbutyl)formamide

C8H16FNO — CID 156718150

IUPACN-(2-fluoro-2,3,3-trimethylbutyl)formamide
SMILESCC(C)(C)C(C)(F)CNC=O
InChIInChI=1S/C8H16FNO/c1-7(2,3)8(4,9)5-10-6-11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyAXGGDWQNSYBGKA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.51
Rot. Bonds3

About N-(2-fluoro-2,3,3-trimethylbutyl)formamide

N-(2-fluoro-2,3,3-trimethylbutyl)formamide (PubChem CID 156718150) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(2-fluoro-2,3,3-trimethylbutyl)formamide.

Molecular Properties

Compound NameN-(2-fluoro-2,3,3-trimethylbutyl)formamide
PubChem CID156718150
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(2-fluoro-2,3,3-trimethylbutyl)formamide
SMILESCC(C)(C)C(C)(F)CNC=O
InChIInChI=1S/C8H16FNO/c1-7(2,3)8(4,9)5-10-6-11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyAXGGDWQNSYBGKA-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
CID 110477170
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
N-[2-(2-hydroxyethylamino)-2-methylpropyl]formamide
CID 143275696
N-[2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]formamide
CID 57228520
2,2-difluoropropane;formic acid
CID 160803691
6-formamido-3,3,5,5-tetramethylhexanoic acid
CID 172574666
3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 146503782
(5-formamido-2,2,4,4-tetramethylpentyl)carbamothioic S-acid
CID 171500142
N-(2,2-difluoropropyl)-2,2-difluoropropan-1-amine
CID 84654549
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide
CID 177106219

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2,3,3-trimethylbutyl)formamide?
The IUPAC name of N-(2-fluoro-2,3,3-trimethylbutyl)formamide (CID 156718150) is N-(2-fluoro-2,3,3-trimethylbutyl)formamide.
What is the SMILES notation for N-(2-fluoro-2,3,3-trimethylbutyl)formamide?
The canonical SMILES for N-(2-fluoro-2,3,3-trimethylbutyl)formamide is CC(C)(C)C(C)(F)CNC=O.
What is the InChIKey of N-(2-fluoro-2,3,3-trimethylbutyl)formamide?
The InChIKey is AXGGDWQNSYBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,3)8(4,9)5-10-6-11/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of N-(2-fluoro-2,3,3-trimethylbutyl)formamide?
N-(2-fluoro-2,3,3-trimethylbutyl)formamide has a molecular weight of 161.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2,3,3-trimethylbutyl)formamide is sourced from PubChem (CID 156718150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).