1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol

C10H15F5O — CID 59302191

IUPAC1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol
SMILESCC1(C(F)(F)C(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H15F5O/c1-8(5-3-2-4-6-8)9(11,12)7(16)10(13,14)15/h7,16H,2-6H2,1H3
InChIKeyWQZFGDHCAVENBW-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.52
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol

1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol (PubChem CID 59302191) has the molecular formula C10H15F5O and a molecular weight of 246.22 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol
PubChem CID59302191
Molecular FormulaC10H15F5O
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol
SMILESCC1(C(F)(F)C(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H15F5O/c1-8(5-3-2-4-6-8)9(11,12)7(16)10(13,14)15/h7,16H,2-6H2,1H3
InChIKeyWQZFGDHCAVENBW-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 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol (CID 59302191) is 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol is CC1(C(F)(F)C(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol?
The InChIKey is WQZFGDHCAVENBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O/c1-8(5-3-2-4-6-8)9(11,12)7(16)10(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol?
1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-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 1,1,1,3,3-pentafluoro-3-(1-methylcyclohexyl)propan-2-ol is sourced from PubChem (CID 59302191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).