(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol

C9H17F3O2 — CID 10198260

IUPAC(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
SMILESCCOCCCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-2-14-7-5-3-4-6-8(13)9(10,11)12/h8,13H,2-7H2,1H3/t8-/m1/s1
InChIKeyVXSKCAORLFNLGG-MRVPVSSYSA-N
MW214.23 g/mol
LogP2.51
Rot. Bonds7

About (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol

(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol (PubChem CID 10198260) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol.

Molecular Properties

Compound Name(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
PubChem CID10198260
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
SMILESCCOCCCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-2-14-7-5-3-4-6-8(13)9(10,11)12/h8,13H,2-7H2,1H3/t8-/m1/s1
InChIKeyVXSKCAORLFNLGG-MRVPVSSYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1-trifluoro-8-pentoxyoctan-2-ol
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(2R)-1,1,1-trifluoroundecan-2-ol
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(2S)-1,1,1-trifluorodecan-2-ol
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14-ethoxytetradecane-1,3-diol
CID 57222760
1-ethoxy-17-methyloctadecane
CID 91042875
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
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Frequently Asked Questions

What is the IUPAC name of (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol?
The IUPAC name of (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol (CID 10198260) is (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol.
What is the SMILES notation for (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol?
The canonical SMILES for (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol is CCOCCCCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol?
The InChIKey is VXSKCAORLFNLGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-2-14-7-5-3-4-6-8(13)9(10,11)12/h8,13H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol?
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol is sourced from PubChem (CID 10198260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).