2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide

C10H6F13NO — CID 4623111

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2,(H,24,25)
InChIKeyDTXZMTIDRRGQOS-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.03
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide (PubChem CID 4623111) has the molecular formula C10H6F13NO and a molecular weight of 403.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
PubChem CID4623111
Molecular FormulaC10H6F13NO
Molecular Weight403.14 g/mol
Exact Mass403.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2,(H,24,25)
InChIKeyDTXZMTIDRRGQOS-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3406940
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
CID 166497913
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 160707126
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 163324662
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide (CID 4623111) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide is C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide?
The InChIKey is DTXZMTIDRRGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F13NO/c1-2-3-24-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2,(H,24,25).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide has a molecular weight of 403.14 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide is sourced from PubChem (CID 4623111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).