3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

C10H6F15NO2 — CID 10575809

IUPAC3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
SMILESNC(CC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F15NO2/c11-4(12,2(26)1-3(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,26H2,(H,27,28)
InChIKeyWMSJEXLLYUKLQD-UHFFFAOYSA-N
MW457.13 g/mol
LogP4.16
Rot. Bonds8

About 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid (PubChem CID 10575809) has the molecular formula C10H6F15NO2 and a molecular weight of 457.13 g/mol. Its IUPAC name is 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid.

Molecular Properties

Compound Name3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
PubChem CID10575809
Molecular FormulaC10H6F15NO2
Molecular Weight457.13 g/mol
Exact Mass457.02
IUPAC Name3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
SMILESNC(CC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F15NO2/c11-4(12,2(26)1-3(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,26H2,(H,27,28)
InChIKeyWMSJEXLLYUKLQD-UHFFFAOYSA-N
XLogP4.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.13
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid with MolForge

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Related Compounds

(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
CID 135081165
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
CID 170876102
ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
CID 171210387
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)propanedioic acid
CID 21282521
2-amino-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)acetic acid
CID 152698822
3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohexan-2-amine
CID 3858843
3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
CID 174838740
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
CID 11783764
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
CID 118209497

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid?
The IUPAC name of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid (CID 10575809) is 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid.
What is the SMILES notation for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid?
The canonical SMILES for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid is NC(CC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid?
The InChIKey is WMSJEXLLYUKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F15NO2/c11-4(12,2(26)1-3(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,26H2,(H,27,28).
What are the key properties of 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid?
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid has a molecular weight of 457.13 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid is sourced from PubChem (CID 10575809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).