2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H10F6O — CID 21062431

IUPAC2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h5,15H,1-4H2
InChIKeyBPXSOAWALTZTFM-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.03
Rot. Bonds1

About 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol

2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21062431) has the molecular formula C8H10F6O and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21062431
Molecular FormulaC8H10F6O
Molecular Weight236.15 g/mol
Exact Mass236.06
IUPAC Name2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h5,15H,1-4H2
InChIKeyBPXSOAWALTZTFM-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21062431) is 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BPXSOAWALTZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h5,15H,1-4H2.
What are the key properties of 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 236.15 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21062431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).