3-amino-2,4,4-trifluorodecanoic acid

C10H18F3NO2 — CID 57182305

IUPAC3-amino-2,4,4-trifluorodecanoic acid
SMILESCCCCCCC(F)(F)C(N)C(F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-2-3-4-5-6-10(12,13)8(14)7(11)9(15)16/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyBSRGBBRSZOOZFZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds8

About 3-amino-2,4,4-trifluorodecanoic acid

3-amino-2,4,4-trifluorodecanoic acid (PubChem CID 57182305) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-2,4,4-trifluorodecanoic acid.

Molecular Properties

Compound Name3-amino-2,4,4-trifluorodecanoic acid
PubChem CID57182305
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-amino-2,4,4-trifluorodecanoic acid
SMILESCCCCCCC(F)(F)C(N)C(F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-2-3-4-5-6-10(12,13)8(14)7(11)9(15)16/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyBSRGBBRSZOOZFZ-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminooctanoic acid
CID 69522
7,8-Diaminononanoic acid
CID 652
2-Aminododecanoic acid
CID 307925
2-Aminotetradecanoic acid
CID 252477
7,8-Diamino-Nonanoic Acid
CID 445025
3-Aminooctanoic acid
CID 295606
2-Aminononanoic acid
CID 227942
(3S)-3,7-diaminoheptanoic acid
CID 2761529
7-Aminodecanoic acid
CID 2832749
2-Amino-decanoic acid
CID 307923
3-Aminodecanoic acid
CID 295570
Octanoic acid, compound with cyclohexylamine (1:1)
CID 17865491

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,4-trifluorodecanoic acid?
The IUPAC name of 3-amino-2,4,4-trifluorodecanoic acid (CID 57182305) is 3-amino-2,4,4-trifluorodecanoic acid.
What is the SMILES notation for 3-amino-2,4,4-trifluorodecanoic acid?
The canonical SMILES for 3-amino-2,4,4-trifluorodecanoic acid is CCCCCCC(F)(F)C(N)C(F)C(=O)O.
What is the InChIKey of 3-amino-2,4,4-trifluorodecanoic acid?
The InChIKey is BSRGBBRSZOOZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-3-4-5-6-10(12,13)8(14)7(11)9(15)16/h7-8H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2,4,4-trifluorodecanoic acid?
3-amino-2,4,4-trifluorodecanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,4-trifluorodecanoic acid is sourced from PubChem (CID 57182305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).