(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol

C11H19F3O — CID 14673437

IUPAC(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol
SMILESCCCCCC[C@H]1C[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-2-3-4-5-6-8-7-9(8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyFVXMSVQNKYIKAK-AEJSXWLSSA-N
MW224.27 g/mol
LogP3.52
Rot. Bonds6

About (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol

(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol (PubChem CID 14673437) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol
PubChem CID14673437
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol
SMILESCCCCCC[C@H]1C[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-2-3-4-5-6-8-7-9(8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyFVXMSVQNKYIKAK-AEJSXWLSSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol (CID 14673437) is (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol is CCCCCC[C@H]1C[C@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol?
The InChIKey is FVXMSVQNKYIKAK-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H19F3O/c1-2-3-4-5-6-8-7-9(8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol?
(1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol has a molecular weight of 224.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[(1R,2S)-2-hexylcyclopropyl]ethanol is sourced from PubChem (CID 14673437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).