2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine

C13H20F9NO3S — CID 175164014

IUPAC2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
SMILESC=CCN.O=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C10H13F9O3S.C3H7N/c11-1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-23(20,21)22;1-2-3-4/h3-10H,1-2H2,(H,20,21,22);2H,1,3-4H2
InChIKeyUESDUAVWUBVGLY-UHFFFAOYSA-N
MW441.36 g/mol
LogP2.68
Rot. Bonds11

About 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine

2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine (PubChem CID 175164014) has the molecular formula C13H20F9NO3S and a molecular weight of 441.36 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
PubChem CID175164014
Molecular FormulaC13H20F9NO3S
Molecular Weight441.36 g/mol
Exact Mass441.10
IUPAC Name2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
SMILESC=CCN.O=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C10H13F9O3S.C3H7N/c11-1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-23(20,21)22;1-2-3-4/h3-10H,1-2H2,(H,20,21,22);2H,1,3-4H2
InChIKeyUESDUAVWUBVGLY-UHFFFAOYSA-N
XLogP2.68
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6,7,8,9,10,11,12,12-dodecafluorododecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160070
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
CID 134206425
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
9,9-difluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175169891
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
azane;prop-2-enyl 2,3,4,5,6,11-hexafluoroundecane-1-sulfonate
CID 175529513
fluorophosphonic acid;prop-2-en-1-amine
CID 173413969

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine?
The IUPAC name of 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine (CID 175164014) is 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine?
The canonical SMILES for 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine is C=CCN.O=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)CF.
What is the InChIKey of 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine?
The InChIKey is UESDUAVWUBVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O3S.C3H7N/c11-1-3(12)5(14)7(16)9(18)10(19)8(17)6(15)4(13)2-23(20,21)22;1-2-3-4/h3-10H,1-2H2,(H,20,21,22);2H,1,3-4H2.
What are the key properties of 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine?
2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine has a molecular weight of 441.36 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine is sourced from PubChem (CID 175164014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).