cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol

C10H17F3O2 — CID 10013922

IUPACcis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol
SMILESOCC[C@H]([C@H]1CCCC[C@H]1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c11-10(12,13)8(5-6-14)7-3-1-2-4-9(7)15/h7-9,14-15H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyMKLXOLMDVDEHHY-IWSPIJDZSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds3

About cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol

cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol (PubChem CID 10013922) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol
PubChem CID10013922
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Namecis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol
SMILESOCC[C@H]([C@H]1CCCC[C@H]1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c11-10(12,13)8(5-6-14)7-3-1-2-4-9(7)15/h7-9,14-15H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyMKLXOLMDVDEHHY-IWSPIJDZSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol (CID 10013922) is cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol is OCC[C@H]([C@H]1CCCC[C@H]1O)C(F)(F)F.
What is the InChIKey of cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol?
The InChIKey is MKLXOLMDVDEHHY-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H17F3O2/c11-10(12,13)8(5-6-14)7-3-1-2-4-9(7)15/h7-9,14-15H,1-6H2/t7-,8-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol?
cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10013922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).