1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol

C22H22F6O2 — CID 129118941

IUPAC1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol
SMILESC=C(C)c1cccc2cc(C3(OCC(O)(C(F)(F)F)C(F)(F)F)CCCC3)ccc12
InChIInChI=1S/C22H22F6O2/c1-14(2)17-7-5-6-15-12-16(8-9-18(15)17)19(10-3-4-11-19)30-13-20(29,21(23,24)25)22(26,27)28/h5-9,12,29H,1,3-4,10-11,13H2,2H3
InChIKeyLKCLCPJMMRYEND-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.51
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol (PubChem CID 129118941) has the molecular formula C22H22F6O2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol
PubChem CID129118941
Molecular FormulaC22H22F6O2
Molecular Weight432.40 g/mol
Exact Mass432.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol
SMILESC=C(C)c1cccc2cc(C3(OCC(O)(C(F)(F)F)C(F)(F)F)CCCC3)ccc12
InChIInChI=1S/C22H22F6O2/c1-14(2)17-7-5-6-15-12-16(8-9-18(15)17)19(10-3-4-11-19)30-13-20(29,21(23,24)25)22(26,27)28/h5-9,12,29H,1,3-4,10-11,13H2,2H3
InChIKeyLKCLCPJMMRYEND-UHFFFAOYSA-N
XLogP6.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol (CID 129118941) is 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol is C=C(C)c1cccc2cc(C3(OCC(O)(C(F)(F)F)C(F)(F)F)CCCC3)ccc12.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol?
The InChIKey is LKCLCPJMMRYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6O2/c1-14(2)17-7-5-6-15-12-16(8-9-18(15)17)19(10-3-4-11-19)30-13-20(29,21(23,24)25)22(26,27)28/h5-9,12,29H,1,3-4,10-11,13H2,2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol has a molecular weight of 432.40 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[[1-(5-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxymethyl]propan-2-ol is sourced from PubChem (CID 129118941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).