4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol

C12H21F3O2 — CID 82957761

IUPAC4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(OCCC(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-2-3-9-4-5-10(16)11(8-9)17-7-6-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyKCBFDOLZPYYINB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.29
Rot. Bonds5

About 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol

4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol (PubChem CID 82957761) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
PubChem CID82957761
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(OCCC(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-2-3-9-4-5-10(16)11(8-9)17-7-6-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyKCBFDOLZPYYINB-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol (CID 82957761) is 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol is CCCC1CCC(O)C(OCCC(F)(F)F)C1.
What is the InChIKey of 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol?
The InChIKey is KCBFDOLZPYYINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-2-3-9-4-5-10(16)11(8-9)17-7-6-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol?
4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol is sourced from PubChem (CID 82957761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).