nonan-2-amine;2,2,2-trifluoroacetic acid

C11H22F3NO2 — CID 154996434

IUPACnonan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCCCCCCC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H21N.C2HF3O2/c1-3-4-5-6-7-8-9(2)10;3-2(4,5)1(6)7/h9H,3-8,10H2,1-2H3;(H,6,7)
InChIKeyVICJGTTWSJFUEN-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.33
Rot. Bonds6

About nonan-2-amine;2,2,2-trifluoroacetic acid

nonan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 154996434) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is nonan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namenonan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID154996434
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Namenonan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCCCCCCC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H21N.C2HF3O2/c1-3-4-5-6-7-8-9(2)10;3-2(4,5)1(6)7/h9H,3-8,10H2,1-2H3;(H,6,7)
InChIKeyVICJGTTWSJFUEN-UHFFFAOYSA-N
XLogP3.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.33
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

carbamic acid;undecan-2-amine
CID 175209089
propanoic acid;tetradecan-2-amine
CID 173174901
methyl (2S)-2-aminooctanoate;2,2,2-trifluoroacetic acid
CID 25131812
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
nonan-3-ol;2,2,2-trifluoroacetic acid
CID 175151448
2-butylheptacosanoic acid;2,2,2-trifluoroacetic acid
CID 175747417
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
6,6-difluorooctadecan-2-amine
CID 174731685
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of nonan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of nonan-2-amine;2,2,2-trifluoroacetic acid (CID 154996434) is nonan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for nonan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for nonan-2-amine;2,2,2-trifluoroacetic acid is CCCCCCCC(C)N.O=C(O)C(F)(F)F.
What is the InChIKey of nonan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VICJGTTWSJFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2HF3O2/c1-3-4-5-6-7-8-9(2)10;3-2(4,5)1(6)7/h9H,3-8,10H2,1-2H3;(H,6,7).
What are the key properties of nonan-2-amine;2,2,2-trifluoroacetic acid?
nonan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 257.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154996434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).