N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

C14H20F7NO — CID 620271

IUPACN-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCC(CC1CCCCC1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H20F7NO/c1-9(8-10-6-4-3-5-7-10)22(2)11(23)12(15,16)13(17,18)14(19,20)21/h9-10H,3-8H2,1-2H3
InChIKeyBMLFWQFIOJLXPE-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.64
Rot. Bonds5

About N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (PubChem CID 620271) has the molecular formula C14H20F7NO and a molecular weight of 351.31 g/mol. Its IUPAC name is N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
PubChem CID620271
Molecular FormulaC14H20F7NO
Molecular Weight351.31 g/mol
Exact Mass351.14
IUPAC NameN-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCC(CC1CCCCC1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H20F7NO/c1-9(8-10-6-4-3-5-7-10)22(2)11(23)12(15,16)13(17,18)14(19,20)21/h9-10H,3-8H2,1-2H3
InChIKeyBMLFWQFIOJLXPE-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
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 N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The IUPAC name of N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (CID 620271) is N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.
What is the SMILES notation for N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The canonical SMILES for N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide is CC(CC1CCCCC1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The InChIKey is BMLFWQFIOJLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F7NO/c1-9(8-10-6-4-3-5-7-10)22(2)11(23)12(15,16)13(17,18)14(19,20)21/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide has a molecular weight of 351.31 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide is sourced from PubChem (CID 620271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).