N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide

C19H3F34NO — CID 18679925

IUPACN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
SMILESC=CC(=O)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H3F34NO/c1-2-3(55)54(18(50,51)14(40,41)10(32,33)6(24,25)4(20,21)8(28,29)12(36,37)16(44,45)46)19(52,53)15(42,43)11(34,35)7(26,27)5(22,23)9(30,31)13(38,39)17(47,48)49/h2H,1H2
InChIKeyPQTQDEFVZFVQCA-UHFFFAOYSA-N
MW907.17 g/mol
LogP10.93
Rot. Bonds15

About N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide

N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide (PubChem CID 18679925) has the molecular formula C19H3F34NO and a molecular weight of 907.17 g/mol. Its IUPAC name is N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
PubChem CID18679925
Molecular FormulaC19H3F34NO
Molecular Weight907.17 g/mol
Exact Mass906.97
IUPAC NameN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
SMILESC=CC(=O)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H3F34NO/c1-2-3(55)54(18(50,51)14(40,41)10(32,33)6(24,25)4(20,21)8(28,29)12(36,37)16(44,45)46)19(52,53)15(42,43)11(34,35)7(26,27)5(22,23)9(30,31)13(38,39)17(47,48)49/h2H,1H2
InChIKeyPQTQDEFVZFVQCA-UHFFFAOYSA-N
XLogP10.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide
CID 18679918
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-propylprop-2-enamide
CID 21020722
N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-N-methylprop-2-enamide
CID 21020733
N-butyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)prop-2-enamide
CID 21020751
N-ethyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)prop-2-enamide
CID 21020768
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)pyrrole-2,5-dione
CID 22564588
N-methyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)prop-2-enamide
CID 59892561
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)-N-methylprop-2-enamide
CID 59892568
N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide
CID 139789967

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The IUPAC name of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide (CID 18679925) is N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The canonical SMILES for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide is C=CC(=O)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
The InChIKey is PQTQDEFVZFVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H3F34NO/c1-2-3(55)54(18(50,51)14(40,41)10(32,33)6(24,25)4(20,21)8(28,29)12(36,37)16(44,45)46)19(52,53)15(42,43)11(34,35)7(26,27)5(22,23)9(30,31)13(38,39)17(47,48)49/h2H,1H2.
What are the key properties of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide?
N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide has a molecular weight of 907.17 g/mol, XLogP of 10.93, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)prop-2-enamide is sourced from PubChem (CID 18679925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).