1,1,1-trifluorododecan-3-ol

C12H23F3O — CID 62606550

IUPAC1,1,1-trifluorododecan-3-ol
SMILESCCCCCCCCCC(O)CC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-2-3-4-5-6-7-8-9-11(16)10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyBLINBMGQEUHEAU-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.44
Rot. Bonds9

About 1,1,1-trifluorododecan-3-ol

1,1,1-trifluorododecan-3-ol (PubChem CID 62606550) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1,1-trifluorododecan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluorododecan-3-ol
PubChem CID62606550
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1,1,1-trifluorododecan-3-ol
SMILESCCCCCCCCCC(O)CC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-2-3-4-5-6-7-8-9-11(16)10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyBLINBMGQEUHEAU-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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icosan-3-ol
CID 14940768
2-methyltridecane-2,4-diol
CID 90439736
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorododecan-3-ol?
The IUPAC name of 1,1,1-trifluorododecan-3-ol (CID 62606550) is 1,1,1-trifluorododecan-3-ol.
What is the SMILES notation for 1,1,1-trifluorododecan-3-ol?
The canonical SMILES for 1,1,1-trifluorododecan-3-ol is CCCCCCCCCC(O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluorododecan-3-ol?
The InChIKey is BLINBMGQEUHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-2-3-4-5-6-7-8-9-11(16)10-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 1,1,1-trifluorododecan-3-ol?
1,1,1-trifluorododecan-3-ol has a molecular weight of 240.31 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorododecan-3-ol is sourced from PubChem (CID 62606550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).