2-cyclopropyl-2-fluoro-3-methylbutanamide

C8H14FNO — CID 54154601

IUPAC2-cyclopropyl-2-fluoro-3-methylbutanamide
SMILESCC(C)C(F)(C(N)=O)C1CC1
InChIInChI=1S/C8H14FNO/c1-5(2)8(9,7(10)11)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyOKDLPGXNGHDOMW-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.25
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-3-methylbutanamide

2-cyclopropyl-2-fluoro-3-methylbutanamide (PubChem CID 54154601) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-methylbutanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-methylbutanamide
PubChem CID54154601
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-cyclopropyl-2-fluoro-3-methylbutanamide
SMILESCC(C)C(F)(C(N)=O)C1CC1
InChIInChI=1S/C8H14FNO/c1-5(2)8(9,7(10)11)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyOKDLPGXNGHDOMW-UHFFFAOYSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577813
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanamide
CID 63909560
2-methylpropyl 4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 134192365
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
2-methylpropyl 2-amino-2-cyclopropylpropanoate
CID 61277456
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate
CID 58944231
2-fluoro-2-propan-2-ylhexanamide
CID 54054711
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 82721720

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-methylbutanamide?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-methylbutanamide (CID 54154601) is 2-cyclopropyl-2-fluoro-3-methylbutanamide.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-methylbutanamide?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-methylbutanamide is CC(C)C(F)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-methylbutanamide?
The InChIKey is OKDLPGXNGHDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-5(2)8(9,7(10)11)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 2-cyclopropyl-2-fluoro-3-methylbutanamide?
2-cyclopropyl-2-fluoro-3-methylbutanamide has a molecular weight of 159.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-methylbutanamide is sourced from PubChem (CID 54154601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).