2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide

C12H19F4NO — CID 103733541

IUPAC2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
SMILESCC(C)C1CCCCC1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C12H19F4NO/c1-7(2)8-5-3-4-6-9(8)17-11(18)12(15,16)10(13)14/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyXQAUSRXYVJYLGM-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.22
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide

2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide (PubChem CID 103733541) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
PubChem CID103733541
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
SMILESCC(C)C1CCCCC1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C12H19F4NO/c1-7(2)8-5-3-4-6-9(8)17-11(18)12(15,16)10(13)14/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyXQAUSRXYVJYLGM-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide (CID 103733541) is 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide is CC(C)C1CCCCC1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide?
The InChIKey is XQAUSRXYVJYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c1-7(2)8-5-3-4-6-9(8)17-11(18)12(15,16)10(13)14/h7-10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide has a molecular weight of 269.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 103733541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).