1-(2,3,4-trifluorophenyl)cycloheptan-1-ol

C13H15F3O — CID 62964767

IUPAC1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
SMILESOC1(c2ccc(F)c(F)c2F)CCCCCC1
InChIInChI=1S/C13H15F3O/c14-10-6-5-9(11(15)12(10)16)13(17)7-3-1-2-4-8-13/h5-6,17H,1-4,7-8H2
InChIKeyLXJHTYVUZKPECT-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.65
Rot. Bonds1

About 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol

1-(2,3,4-trifluorophenyl)cycloheptan-1-ol (PubChem CID 62964767) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
PubChem CID62964767
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
SMILESOC1(c2ccc(F)c(F)c2F)CCCCCC1
InChIInChI=1S/C13H15F3O/c14-10-6-5-9(11(15)12(10)16)13(17)7-3-1-2-4-8-13/h5-6,17H,1-4,7-8H2
InChIKeyLXJHTYVUZKPECT-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol?
The IUPAC name of 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol (CID 62964767) is 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol is OC1(c2ccc(F)c(F)c2F)CCCCCC1.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol?
The InChIKey is LXJHTYVUZKPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c14-10-6-5-9(11(15)12(10)16)13(17)7-3-1-2-4-8-13/h5-6,17H,1-4,7-8H2.
What are the key properties of 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol?
1-(2,3,4-trifluorophenyl)cycloheptan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)cycloheptan-1-ol is sourced from PubChem (CID 62964767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).