1,1,2,2,3,12,12,12-octafluorododecan-1-amine

C12H19F8N — CID 175157299

IUPAC1,1,2,2,3,12,12,12-octafluorododecan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C12H19F8N/c13-9(11(17,18)12(19,20)21)7-5-3-1-2-4-6-8-10(14,15)16/h9H,1-8,21H2
InChIKeyYRTXVKMXNYQHPT-UHFFFAOYSA-N
MW329.28 g/mol
LogP5.19
Rot. Bonds10

About 1,1,2,2,3,12,12,12-octafluorododecan-1-amine

1,1,2,2,3,12,12,12-octafluorododecan-1-amine (PubChem CID 175157299) has the molecular formula C12H19F8N and a molecular weight of 329.28 g/mol. Its IUPAC name is 1,1,2,2,3,12,12,12-octafluorododecan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,12,12,12-octafluorododecan-1-amine
PubChem CID175157299
Molecular FormulaC12H19F8N
Molecular Weight329.28 g/mol
Exact Mass329.14
IUPAC Name1,1,2,2,3,12,12,12-octafluorododecan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C12H19F8N/c13-9(11(17,18)12(19,20)21)7-5-3-1-2-4-6-8-10(14,15)16/h9H,1-8,21H2
InChIKeyYRTXVKMXNYQHPT-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
N-methylmethanamine;1,1,2,2,3,12,12,12-octafluorododecane-1-sulfonic acid
CID 171922644
1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160264
acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine
CID 174473146
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
CID 171922879
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,12,12,12-octafluorododecan-1-amine?
The IUPAC name of 1,1,2,2,3,12,12,12-octafluorododecan-1-amine (CID 175157299) is 1,1,2,2,3,12,12,12-octafluorododecan-1-amine.
What is the SMILES notation for 1,1,2,2,3,12,12,12-octafluorododecan-1-amine?
The canonical SMILES for 1,1,2,2,3,12,12,12-octafluorododecan-1-amine is NC(F)(F)C(F)(F)C(F)CCCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,12,12,12-octafluorododecan-1-amine?
The InChIKey is YRTXVKMXNYQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F8N/c13-9(11(17,18)12(19,20)21)7-5-3-1-2-4-6-8-10(14,15)16/h9H,1-8,21H2.
What are the key properties of 1,1,2,2,3,12,12,12-octafluorododecan-1-amine?
1,1,2,2,3,12,12,12-octafluorododecan-1-amine has a molecular weight of 329.28 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,12,12,12-octafluorododecan-1-amine is sourced from PubChem (CID 175157299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).