nonan-3-ol;2,2,2-trifluoroacetic acid

C11H21F3O3 — CID 175151448

IUPACnonan-3-ol;2,2,2-trifluoroacetic acid
SMILESCCCCCCC(O)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20O.C2HF3O2/c1-3-5-6-7-8-9(10)4-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7)
InChIKeyZNSIMMNJVIJHQO-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.36
Rot. Bonds6

About nonan-3-ol;2,2,2-trifluoroacetic acid

nonan-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 175151448) has the molecular formula C11H21F3O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is nonan-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namenonan-3-ol;2,2,2-trifluoroacetic acid
PubChem CID175151448
Molecular FormulaC11H21F3O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Namenonan-3-ol;2,2,2-trifluoroacetic acid
SMILESCCCCCCC(O)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20O.C2HF3O2/c1-3-5-6-7-8-9(10)4-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7)
InChIKeyZNSIMMNJVIJHQO-UHFFFAOYSA-N
XLogP3.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.36
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

icosan-3-ol
CID 14940768
2-ethylnonanoic acid;2,2,2-trifluoroacetic acid
CID 175106735
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658
2-butylheptacosanoic acid;2,2,2-trifluoroacetic acid
CID 175747417
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
(3R)-3-hydroxytriacontan-11-one
CID 163074404
carbonic acid;octane-1,2-diol
CID 87196944
octadecane-8,11-diol
CID 101412726
pentane;2,2,2-trifluoroacetic acid
CID 161039566
acetic acid;octane-1,2-diol
CID 71443933
12-hydroxyheptadecane-1,1,1-tricarboxylic acid
CID 57104312

Frequently Asked Questions

What is the IUPAC name of nonan-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of nonan-3-ol;2,2,2-trifluoroacetic acid (CID 175151448) is nonan-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for nonan-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for nonan-3-ol;2,2,2-trifluoroacetic acid is CCCCCCC(O)CC.O=C(O)C(F)(F)F.
What is the InChIKey of nonan-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZNSIMMNJVIJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C2HF3O2/c1-3-5-6-7-8-9(10)4-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7).
What are the key properties of nonan-3-ol;2,2,2-trifluoroacetic acid?
nonan-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 258.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175151448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).