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

C10H7F12NO — CID 3607404

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-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
InChIInChI=1S/C10H7F12NO/c1-2-3-23-5(24)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(11)12/h2,4H,1,3H2,(H,23,24)
InChIKeyZMCJTCUWNKQJHW-UHFFFAOYSA-N
MW385.15 g/mol
LogP3.73
Rot. Bonds8

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

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide (PubChem CID 3607404) has the molecular formula C10H7F12NO and a molecular weight of 385.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide
PubChem CID3607404
Molecular FormulaC10H7F12NO
Molecular Weight385.15 g/mol
Exact Mass385.03
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-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
InChIInChI=1S/C10H7F12NO/c1-2-3-23-5(24)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(11)12/h2,4H,1,3H2,(H,23,24)
InChIKeyZMCJTCUWNKQJHW-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 53.73
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide (CID 3607404) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-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.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide?
The InChIKey is ZMCJTCUWNKQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F12NO/c1-2-3-23-5(24)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(11)12/h2,4H,1,3H2,(H,23,24).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-prop-2-enylheptanamide has a molecular weight of 385.15 g/mol, XLogP of 3.73, 8 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-dodecafluoro-N-prop-2-enylheptanamide is sourced from PubChem (CID 3607404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).