2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol

C12H21F3O2 — CID 105112009

IUPAC2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCCCOCC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O2/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyLDQSWGRQQHRQQS-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.14
Rot. Bonds5

About 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol

2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105112009) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105112009
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCCCOCC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O2/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyLDQSWGRQQHRQQS-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 105112009) is 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol is CCCOCC(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is LDQSWGRQQHRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-2-7-17-8-11(16)9-3-5-10(6-4-9)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105112009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).