N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide

C9H14F4N2O — CID 103806938

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(CN)(NC(=O)C(F)(F)C(F)F)C1CC1
InChIInChI=1S/C9H14F4N2O/c1-8(4-14,5-2-3-5)15-7(16)9(12,13)6(10)11/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyMJAUFDYAYILJFY-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.13
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103806938) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103806938
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(CN)(NC(=O)C(F)(F)C(F)F)C1CC1
InChIInChI=1S/C9H14F4N2O/c1-8(4-14,5-2-3-5)15-7(16)9(12,13)6(10)11/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyMJAUFDYAYILJFY-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119573837
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
CID 115307789
N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
CID 81486841
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-phenylpropanamide
CID 115307744
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806941
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
CID 119573041
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119574482
N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 115308001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 103806938) is N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide is CC(CN)(NC(=O)C(F)(F)C(F)F)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is MJAUFDYAYILJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-8(4-14,5-2-3-5)15-7(16)9(12,13)6(10)11/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 242.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103806938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).