2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide

C12H9F8NO2 — CID 157036926

IUPAC2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide
SMILESC#CCN(CC#C)C(=O)C(F)(OCC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F8NO2/c1-3-5-21(6-4-2)9(22)10(14,12(18,19)20)23-7-8(13)11(15,16)17/h1-2,8H,5-7H2
InChIKeyBUSNUNBJWQTPQP-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.23
Rot. Bonds6

About 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide

2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide (PubChem CID 157036926) has the molecular formula C12H9F8NO2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide
PubChem CID157036926
Molecular FormulaC12H9F8NO2
Molecular Weight351.19 g/mol
Exact Mass351.05
IUPAC Name2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide
SMILESC#CCN(CC#C)C(=O)C(F)(OCC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F8NO2/c1-3-5-21(6-4-2)9(22)10(14,12(18,19)20)23-7-8(13)11(15,16)17/h1-2,8H,5-7H2
InChIKeyBUSNUNBJWQTPQP-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide (CID 157036926) is 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide is C#CCN(CC#C)C(=O)C(F)(OCC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?
The InChIKey is BUSNUNBJWQTPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F8NO2/c1-3-5-21(6-4-2)9(22)10(14,12(18,19)20)23-7-8(13)11(15,16)17/h1-2,8H,5-7H2.
What are the key properties of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?
2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide has a molecular weight of 351.19 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide is sourced from PubChem (CID 157036926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).