1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol

C10H15F5O — CID 90817555

IUPAC1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H15F5O/c1-8(16,10(13,14)15)9(11,12)7-5-3-2-4-6-7/h7,16H,2-6H2,1H3
InChIKeyNXUDGWHQQRPNHO-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.52
Rot. Bonds2

About 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol

1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol (PubChem CID 90817555) has the molecular formula C10H15F5O and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
PubChem CID90817555
Molecular FormulaC10H15F5O
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H15F5O/c1-8(16,10(13,14)15)9(11,12)7-5-3-2-4-6-7/h7,16H,2-6H2,1H3
InChIKeyNXUDGWHQQRPNHO-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol?
The IUPAC name of 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol (CID 90817555) is 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol?
The canonical SMILES for 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol is CC(O)(C(F)(F)F)C(F)(F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol?
The InChIKey is NXUDGWHQQRPNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O/c1-8(16,10(13,14)15)9(11,12)7-5-3-2-4-6-7/h7,16H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol?
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol has a molecular weight of 246.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol is sourced from PubChem (CID 90817555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).