acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine

C14H23F8NO2 — CID 174473146

IUPACacetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine
SMILESCC(=O)O.CN(C)C(F)(F)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C12H19F8N.C2H4O2/c1-21(2)12(19,20)11(17,18)9(13)7-5-3-4-6-8-10(14,15)16;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyCPHMOIVOAARAHH-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.11
Rot. Bonds9

About acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine

acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine (PubChem CID 174473146) has the molecular formula C14H23F8NO2 and a molecular weight of 389.33 g/mol. Its IUPAC name is acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine.

Molecular Properties

Compound Nameacetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine
PubChem CID174473146
Molecular FormulaC14H23F8NO2
Molecular Weight389.33 g/mol
Exact Mass389.16
IUPAC Nameacetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine
SMILESCC(=O)O.CN(C)C(F)(F)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C12H19F8N.C2H4O2/c1-21(2)12(19,20)11(17,18)9(13)7-5-3-4-6-8-10(14,15)16;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyCPHMOIVOAARAHH-UHFFFAOYSA-N
XLogP5.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
CID 171922879
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N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
(9,9,9-trifluoro-2-iodononyl) acetate
CID 150990057
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
8,8,8-trifluoro-2-propyloctanoic acid
CID 15512431

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine?
The IUPAC name of acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine (CID 174473146) is acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine.
What is the SMILES notation for acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine?
The canonical SMILES for acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine is CC(=O)O.CN(C)C(F)(F)C(F)(F)C(F)CCCCCCC(F)(F)F.
What is the InChIKey of acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine?
The InChIKey is CPHMOIVOAARAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F8N.C2H4O2/c1-21(2)12(19,20)11(17,18)9(13)7-5-3-4-6-8-10(14,15)16;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine?
acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine has a molecular weight of 389.33 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine is sourced from PubChem (CID 174473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).