2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide

C9H12F5NO — CID 603457

IUPAC2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide
SMILESO=C(NC1CCCCC1F)C(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO/c10-5-3-1-2-4-6(5)15-8(16)7(11)9(12,13)14/h5-7H,1-4H2,(H,15,16)
InChIKeyLICMWAHADAOTTL-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.28
Rot. Bonds2

About 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide

2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide (PubChem CID 603457) has the molecular formula C9H12F5NO and a molecular weight of 245.19 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide
PubChem CID603457
Molecular FormulaC9H12F5NO
Molecular Weight245.19 g/mol
Exact Mass245.08
IUPAC Name2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide
SMILESO=C(NC1CCCCC1F)C(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO/c10-5-3-1-2-4-6(5)15-8(16)7(11)9(12,13)14/h5-7H,1-4H2,(H,15,16)
InChIKeyLICMWAHADAOTTL-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide (CID 603457) is 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide is O=C(NC1CCCCC1F)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide?
The InChIKey is LICMWAHADAOTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO/c10-5-3-1-2-4-6(5)15-8(16)7(11)9(12,13)14/h5-7H,1-4H2,(H,15,16).
What are the key properties of 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide?
2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide has a molecular weight of 245.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-(2-fluorocyclohexyl)propanamide is sourced from PubChem (CID 603457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).