prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid

C14H28F3NO3S — CID 175164569

IUPACprop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
SMILESC=CCN.O=S(=O)(O)CC(F)C(F)CCCCCCCCF
InChIInChI=1S/C11H21F3O3S.C3H7N/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17;1-2-3-4/h10-11H,1-9H2,(H,15,16,17);2H,1,3-4H2
InChIKeyYAVDHQUCYSPGPT-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.38
Rot. Bonds12

About prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid

prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid (PubChem CID 175164569) has the molecular formula C14H28F3NO3S and a molecular weight of 347.44 g/mol. Its IUPAC name is prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid.

Molecular Properties

Compound Nameprop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
PubChem CID175164569
Molecular FormulaC14H28F3NO3S
Molecular Weight347.44 g/mol
Exact Mass347.17
IUPAC Nameprop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
SMILESC=CCN.O=S(=O)(O)CC(F)C(F)CCCCCCCCF
InChIInChI=1S/C11H21F3O3S.C3H7N/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17;1-2-3-4/h10-11H,1-9H2,(H,15,16,17);2H,1,3-4H2
InChIKeyYAVDHQUCYSPGPT-UHFFFAOYSA-N
XLogP3.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
CID 175164014
9,9-difluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175169891
2,3,4,5,6,7,8,9,10,11,12,12-dodecafluorododecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160070
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
icosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529168
azane;prop-2-enyl 2,3,4,5,6,11-hexafluoroundecane-1-sulfonate
CID 175529513

Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid?
The IUPAC name of prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid (CID 175164569) is prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid.
What is the SMILES notation for prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid?
The canonical SMILES for prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid is C=CCN.O=S(=O)(O)CC(F)C(F)CCCCCCCCF.
What is the InChIKey of prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid?
The InChIKey is YAVDHQUCYSPGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3S.C3H7N/c12-8-6-4-2-1-3-5-7-10(13)11(14)9-18(15,16)17;1-2-3-4/h10-11H,1-9H2,(H,15,16,17);2H,1,3-4H2.
What are the key properties of prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid?
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid has a molecular weight of 347.44 g/mol, XLogP of 3.38, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid is sourced from PubChem (CID 175164569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).