2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide

C12H20F4N2O — CID 106295687

IUPAC2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)C(F)F)C1CCCC(N)C1
InChIInChI=1S/C12H20F4N2O/c1-7(8-3-2-4-9(17)5-8)10(19)18-6-12(15,16)11(13)14/h7-9,11H,2-6,17H2,1H3,(H,18,19)
InChIKeyAVWDWWRWFFXCPG-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide

2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106295687) has the molecular formula C12H20F4N2O and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106295687
Molecular FormulaC12H20F4N2O
Molecular Weight284.30 g/mol
Exact Mass284.15
IUPAC Name2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)C(F)F)C1CCCC(N)C1
InChIInChI=1S/C12H20F4N2O/c1-7(8-3-2-4-9(17)5-8)10(19)18-6-12(15,16)11(13)14/h7-9,11H,2-6,17H2,1H3,(H,18,19)
InChIKeyAVWDWWRWFFXCPG-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.16
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-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide
CID 51095171
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
N,N-bis(3-aminobutyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 57325074
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
CID 58331669
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
N-[4-[(2R)-butan-2-yl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 68091562
4,4,4-trifluoro-N-(4-propan-2-ylcyclohexyl)butanamide
CID 68091928
4,5-diamino-2-fluoro-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 70897100
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
2,2,2-trifluoro-N-(1-(4-oxocyclohexyl)propyl)acetamide
CID 86660468
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
CID 90155064

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106295687) is 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide is CC(C(=O)NCC(F)(F)C(F)F)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is AVWDWWRWFFXCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O/c1-7(8-3-2-4-9(17)5-8)10(19)18-6-12(15,16)11(13)14/h7-9,11H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 284.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106295687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).