2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol

C9H13F3O2 — CID 20709914

IUPAC2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol
SMILESCOC1=C(C(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H13F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h8,13H,2-5H2,1H3
InChIKeyYTRLXIWVDNQAGY-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.38
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol

2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol (PubChem CID 20709914) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol
PubChem CID20709914
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol
SMILESCOC1=C(C(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H13F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h8,13H,2-5H2,1H3
InChIKeyYTRLXIWVDNQAGY-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol (CID 20709914) is 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol is COC1=C(C(O)C(F)(F)F)CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol?
The InChIKey is YTRLXIWVDNQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h8,13H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol?
2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol has a molecular weight of 210.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol is sourced from PubChem (CID 20709914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).