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

C19H7F30NO — CID 139789967

IUPACN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)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)CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C19H7F30NO/c1-2-5(51)50(18(46,47)16(42,43)14(38,39)12(34,35)10(30,31)6(20,21)3-8(24,25)26)19(48,49)17(44,45)15(40,41)13(36,37)11(32,33)7(22,23)4-9(27,28)29/h2H,1,3-4H2
InChIKeyNYFBVACZLLVSHZ-UHFFFAOYSA-N
MW835.21 g/mol
LogP10.44
Rot. Bonds15

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

N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide (PubChem CID 139789967) has the molecular formula C19H7F30NO and a molecular weight of 835.21 g/mol. Its IUPAC name is N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide
PubChem CID139789967
Molecular FormulaC19H7F30NO
Molecular Weight835.21 g/mol
Exact Mass835.00
IUPAC NameN,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)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)CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C19H7F30NO/c1-2-5(51)50(18(46,47)16(42,43)14(38,39)12(34,35)10(30,31)6(20,21)3-8(24,25)26)19(48,49)17(44,45)15(40,41)13(36,37)11(32,33)7(22,23)4-9(27,28)29/h2H,1,3-4H2
InChIKeyNYFBVACZLLVSHZ-UHFFFAOYSA-N
XLogP10.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.21
LogP ≤ 510.44
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide?
The IUPAC name of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide (CID 139789967) is N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide?
The canonical SMILES for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)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)CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide?
The InChIKey is NYFBVACZLLVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7F30NO/c1-2-5(51)50(18(46,47)16(42,43)14(38,39)12(34,35)10(30,31)6(20,21)3-8(24,25)26)19(48,49)17(44,45)15(40,41)13(36,37)11(32,33)7(22,23)4-9(27,28)29/h2H,1,3-4H2.
What are the key properties of N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide?
N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide has a molecular weight of 835.21 g/mol, XLogP of 10.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide is sourced from PubChem (CID 139789967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).