N-(3,3-difluorobutan-2-yl)furan-2-carboxamide

C9H11F2NO2 — CID 126790408

IUPACN-(3,3-difluorobutan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(C)(F)F
InChIInChI=1S/C9H11F2NO2/c1-6(9(2,10)11)12-8(13)7-4-3-5-14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyGJPBMODLGXFBGN-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.05
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)furan-2-carboxamide

N-(3,3-difluorobutan-2-yl)furan-2-carboxamide (PubChem CID 126790408) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)furan-2-carboxamide
PubChem CID126790408
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-(3,3-difluorobutan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(C)(F)F
InChIInChI=1S/C9H11F2NO2/c1-6(9(2,10)11)12-8(13)7-4-3-5-14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyGJPBMODLGXFBGN-UHFFFAOYSA-N
XLogP2.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
N-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 4829465
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
CID 3090290
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
CID 79262022

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3,3-difluorobutan-2-yl)furan-2-carboxamide (CID 126790408) is N-(3,3-difluorobutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)furan-2-carboxamide is CC(NC(=O)c1ccco1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)furan-2-carboxamide?
The InChIKey is GJPBMODLGXFBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-6(9(2,10)11)12-8(13)7-4-3-5-14-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-(3,3-difluorobutan-2-yl)furan-2-carboxamide?
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 126790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).