2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide

C14H12F14N2O2 — CID 14870186

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6(5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)/t5-,6-/m1/s1
InChIKeyBVPQBJMNLKHJNO-PHDIDXHHSA-N
MW506.23 g/mol
LogP4.20
Rot. Bonds6

About 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide (PubChem CID 14870186) has the molecular formula C14H12F14N2O2 and a molecular weight of 506.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
PubChem CID14870186
Molecular FormulaC14H12F14N2O2
Molecular Weight506.23 g/mol
Exact Mass506.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6(5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)/t5-,6-/m1/s1
InChIKeyBVPQBJMNLKHJNO-PHDIDXHHSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide with MolForge

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Related Compounds

N-Cyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 1602640
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
Cambridge id 5567136
CID 2250861
(1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide)
CID 3847323
N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
CID 4147050
(1R,2R)-N,N'-bis(Perfluorooctanoyl)-1,2-cyclohexanediamine
CID 51056781
N-cyclohexyl-3,3,3-trifluoropropanamide
CID 45806629
(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 11977382
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(1S,2S)-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)cyclohexyl]heptanamide
CID 101790838
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)cyclohexyl]heptanamide
CID 101790839
N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236017
4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
CID 97004912

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide (CID 14870186) is 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The InChIKey is BVPQBJMNLKHJNO-PHDIDXHHSA-N. The full InChI is InChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6(5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)/t5-,6-/m1/s1.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide has a molecular weight of 506.23 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide is sourced from PubChem (CID 14870186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).