1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol

C6H6F6O — CID 103310937

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol
SMILESOC1(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C6H6F6O/c7-5(8,9)3(6(10,11)12)4(13)1-2-4/h3,13H,1-2H2
InChIKeyROAXMPKSHFXIKR-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.25
Rot. Bonds1

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol (PubChem CID 103310937) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol
PubChem CID103310937
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol
SMILESOC1(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C6H6F6O/c7-5(8,9)3(6(10,11)12)4(13)1-2-4/h3,13H,1-2H2
InChIKeyROAXMPKSHFXIKR-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol (CID 103310937) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol is OC1(C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol?
The InChIKey is ROAXMPKSHFXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c7-5(8,9)3(6(10,11)12)4(13)1-2-4/h3,13H,1-2H2.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol has a molecular weight of 208.10 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 103310937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).