2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide

C13H19F4NO3 — CID 103732889

IUPAC2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide
SMILESO=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)C(F)F
InChIInChI=1S/C13H19F4NO3/c14-11(15)13(16,17)12(19)18(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h9-11H,1-8H2
InChIKeyBAUBHCINFMIKSM-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.07
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide

2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide (PubChem CID 103732889) has the molecular formula C13H19F4NO3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide
PubChem CID103732889
Molecular FormulaC13H19F4NO3
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide
SMILESO=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)C(F)F
InChIInChI=1S/C13H19F4NO3/c14-11(15)13(16,17)12(19)18(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h9-11H,1-8H2
InChIKeyBAUBHCINFMIKSM-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide (CID 103732889) is 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide is O=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide?
The InChIKey is BAUBHCINFMIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4NO3/c14-11(15)13(16,17)12(19)18(7-9-3-1-5-20-9)8-10-4-2-6-21-10/h9-11H,1-8H2.
What are the key properties of 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide?
2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide has a molecular weight of 313.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 103732889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).