N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide

C9H16FNO — CID 123444332

IUPACN-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
SMILESCCC(C)(F)CNC(=O)C1CC1
InChIInChI=1S/C9H16FNO/c1-3-9(2,10)6-11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGAUGGINLJRYPOK-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds4

About N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide

N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide (PubChem CID 123444332) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
PubChem CID123444332
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
SMILESCCC(C)(F)CNC(=O)C1CC1
InChIInChI=1S/C9H16FNO/c1-3-9(2,10)6-11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGAUGGINLJRYPOK-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150663
N-[2-(chloromethyl)-2-ethylbutyl]-4-methylcyclohexane-1-carboxamide
CID 114164566
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide (CID 123444332) is N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide is CCC(C)(F)CNC(=O)C1CC1.
What is the InChIKey of N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide?
The InChIKey is GAUGGINLJRYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-9(2,10)6-11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide?
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide has a molecular weight of 173.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide is sourced from PubChem (CID 123444332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).