(2S)-1,1,1-trifluorodecan-2-ol

C10H19F3O — CID 10878470

IUPAC(2S)-1,1,1-trifluorodecan-2-ol
SMILESCCCCCCCC[C@H](O)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyFZHCYMPYGWJDQU-VIFPVBQESA-N
MW212.25 g/mol
LogP3.66
Rot. Bonds7

About (2S)-1,1,1-trifluorodecan-2-ol

(2S)-1,1,1-trifluorodecan-2-ol (PubChem CID 10878470) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-1,1,1-trifluorodecan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluorodecan-2-ol
PubChem CID10878470
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name(2S)-1,1,1-trifluorodecan-2-ol
SMILESCCCCCCCC[C@H](O)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1
InChIKeyFZHCYMPYGWJDQU-VIFPVBQESA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.66
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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15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
2-methylheptadecane-2,3-diol
CID 90439823
2-methyldodecane-2,3-diol
CID 90439854
3,3-diethyldecan-4-ol
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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluorodecan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluorodecan-2-ol (CID 10878470) is (2S)-1,1,1-trifluorodecan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluorodecan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluorodecan-2-ol is CCCCCCCC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluorodecan-2-ol?
The InChIKey is FZHCYMPYGWJDQU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,14H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluorodecan-2-ol?
(2S)-1,1,1-trifluorodecan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluorodecan-2-ol is sourced from PubChem (CID 10878470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).