3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol

C13H15F3O — CID 143901494

IUPAC3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol
SMILESOC1CCC(C2=CC(C(F)(F)F)C=CC=C2)C1
InChIInChI=1S/C13H15F3O/c14-13(15,16)11-4-2-1-3-9(7-11)10-5-6-12(17)8-10/h1-4,7,10-12,17H,5-6,8H2
InChIKeyDKCVBNZQRVJYSU-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.38
Rot. Bonds1

About 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol

3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol (PubChem CID 143901494) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol
PubChem CID143901494
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol
SMILESOC1CCC(C2=CC(C(F)(F)F)C=CC=C2)C1
InChIInChI=1S/C13H15F3O/c14-13(15,16)11-4-2-1-3-9(7-11)10-5-6-12(17)8-10/h1-4,7,10-12,17H,5-6,8H2
InChIKeyDKCVBNZQRVJYSU-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol (CID 143901494) is 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol is OC1CCC(C2=CC(C(F)(F)F)C=CC=C2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol?
The InChIKey is DKCVBNZQRVJYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c14-13(15,16)11-4-2-1-3-9(7-11)10-5-6-12(17)8-10/h1-4,7,10-12,17H,5-6,8H2.
What are the key properties of 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol?
3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 143901494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).