3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol

C14H17F3O — CID 64514395

IUPAC3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
SMILESOC1CCCCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-8,11,13,18H,1-4,9H2
InChIKeyLCTJJMNBQKDJNE-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.11
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol

3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol (PubChem CID 64514395) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
PubChem CID64514395
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
SMILESOC1CCCCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-8,11,13,18H,1-4,9H2
InChIKeyLCTJJMNBQKDJNE-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol (CID 64514395) is 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol is OC1CCCCC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol?
The InChIKey is LCTJJMNBQKDJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-8,11,13,18H,1-4,9H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol?
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol is sourced from PubChem (CID 64514395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).