1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol

C22H25F3O2 — CID 129118953

IUPAC1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol
SMILESC=C(C)c1c(C2(OCC(C)(O)C(F)(F)F)CCCC2)ccc2ccccc12
InChIInChI=1S/C22H25F3O2/c1-15(2)19-17-9-5-4-8-16(17)10-11-18(19)21(12-6-7-13-21)27-14-20(3,26)22(23,24)25/h4-5,8-11,26H,1,6-7,12-14H2,2-3H3
InChIKeyWBUXZJMUAVMBJS-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.97
Rot. Bonds5

About 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol

1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol (PubChem CID 129118953) has the molecular formula C22H25F3O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol
PubChem CID129118953
Molecular FormulaC22H25F3O2
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol
SMILESC=C(C)c1c(C2(OCC(C)(O)C(F)(F)F)CCCC2)ccc2ccccc12
InChIInChI=1S/C22H25F3O2/c1-15(2)19-17-9-5-4-8-16(17)10-11-18(19)21(12-6-7-13-21)27-14-20(3,26)22(23,24)25/h4-5,8-11,26H,1,6-7,12-14H2,2-3H3
InChIKeyWBUXZJMUAVMBJS-UHFFFAOYSA-N
XLogP5.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol (CID 129118953) is 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol is C=C(C)c1c(C2(OCC(C)(O)C(F)(F)F)CCCC2)ccc2ccccc12.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol?
The InChIKey is WBUXZJMUAVMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O2/c1-15(2)19-17-9-5-4-8-16(17)10-11-18(19)21(12-6-7-13-21)27-14-20(3,26)22(23,24)25/h4-5,8-11,26H,1,6-7,12-14H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol?
1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol has a molecular weight of 378.43 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-[1-(1-prop-1-en-2-ylnaphthalen-2-yl)cyclopentyl]oxypropan-2-ol is sourced from PubChem (CID 129118953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).