pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid

C18H33F5O3 — CID 175469036

IUPACpentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCCCCCCCCCCCCCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H32O.C3HF5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;4-2(5,1(9)10)3(6,7)8/h16H,2-15H2,1H3;(H,9,10)
InChIKeyYGODMXUQLLNPHA-UHFFFAOYSA-N
MW392.45 g/mol
LogP6.34
Rot. Bonds14

About pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid

pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 175469036) has the molecular formula C18H33F5O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Namepentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID175469036
Molecular FormulaC18H33F5O3
Molecular Weight392.45 g/mol
Exact Mass392.23
IUPAC Namepentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCCCCCCCCCCCCCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H32O.C3HF5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;4-2(5,1(9)10)3(6,7)8/h16H,2-15H2,1H3;(H,9,10)
InChIKeyYGODMXUQLLNPHA-UHFFFAOYSA-N
XLogP6.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octan-1-ol;2,2,2-trifluoroacetic acid
CID 87098576
butan-1-ol;2,2,2-trifluoroacetic acid
CID 87831039
carbamic acid;octan-1-ol
CID 175180386
octadecan-1-ol;propanoic acid
CID 158858583
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid (CID 175469036) is pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid is CCCCCCCCCCCCCCCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is YGODMXUQLLNPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.C3HF5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;4-2(5,1(9)10)3(6,7)8/h16H,2-15H2,1H3;(H,9,10).
What are the key properties of pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 392.45 g/mol, XLogP of 6.34, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 175469036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).