3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide

C10H9F10NO — CID 88657253

IUPAC3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
SMILESCNC(=O)CCC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F10NO/c1-21-4(22)2-3-6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h5H,2-3H2,1H3,(H,21,22)
InChIKeyXPLJBAWEVZUYSV-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.11
Rot. Bonds3

About 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide

3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide (PubChem CID 88657253) has the molecular formula C10H9F10NO and a molecular weight of 349.17 g/mol. Its IUPAC name is 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
PubChem CID88657253
Molecular FormulaC10H9F10NO
Molecular Weight349.17 g/mol
Exact Mass349.05
IUPAC Name3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
SMILESCNC(=O)CCC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F10NO/c1-21-4(22)2-3-6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h5H,2-3H2,1H3,(H,21,22)
InChIKeyXPLJBAWEVZUYSV-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.11
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 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide (CID 88657253) is 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide is CNC(=O)CCC1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The InChIKey is XPLJBAWEVZUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10NO/c1-21-4(22)2-3-6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h5H,2-3H2,1H3,(H,21,22).
What are the key properties of 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide has a molecular weight of 349.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 88657253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).