3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide

C9H8F12N2O — CID 170876102

IUPAC3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
SMILESNC(=O)CC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F12N2O/c10-4(11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2(22)1-3(23)24/h2,4H,1,22H2,(H2,23,24)
InChIKeyRQVNVZBRJGQYJR-UHFFFAOYSA-N
MW388.15 g/mol
LogP2.63
Rot. Bonds8

About 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide

3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide (PubChem CID 170876102) has the molecular formula C9H8F12N2O and a molecular weight of 388.15 g/mol. Its IUPAC name is 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide.

Molecular Properties

Compound Name3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
PubChem CID170876102
Molecular FormulaC9H8F12N2O
Molecular Weight388.15 g/mol
Exact Mass388.04
IUPAC Name3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
SMILESNC(=O)CC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F12N2O/c10-4(11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2(22)1-3(23)24/h2,4H,1,22H2,(H2,23,24)
InChIKeyRQVNVZBRJGQYJR-UHFFFAOYSA-N
XLogP2.63
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononan-1-amine
CID 87467900
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctyl hydrogen carbonate
CID 89413924
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acetate
CID 13155363
3,4,4,4-tetrafluorobutanamide
CID 143771998
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
CID 122236832
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
CID 2776135
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
CID 99769595
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) but-2-enedioate
CID 73182527
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexacosafluorotridecan-1-ol
CID 118339748

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide?
The IUPAC name of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide (CID 170876102) is 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide.
What is the SMILES notation for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide?
The canonical SMILES for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide is NC(=O)CC(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide?
The InChIKey is RQVNVZBRJGQYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12N2O/c10-4(11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2(22)1-3(23)24/h2,4H,1,22H2,(H2,23,24).
What are the key properties of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide?
3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide has a molecular weight of 388.15 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide is sourced from PubChem (CID 170876102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).