4-[2-(trifluoromethoxy)phenyl]heptan-4-ol

C14H19F3O2 — CID 114866167

IUPAC4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-3-9-13(18,10-4-2)11-7-5-6-8-12(11)19-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyDNMUVVLDDAGXMR-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.37
Rot. Bonds6

About 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol

4-[2-(trifluoromethoxy)phenyl]heptan-4-ol (PubChem CID 114866167) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
PubChem CID114866167
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-3-9-13(18,10-4-2)11-7-5-6-8-12(11)19-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyDNMUVVLDDAGXMR-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 66002654
4-naphthalen-1-ylheptan-4-ol
CID 114866255
2-ethyl-1-[2-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 103449289
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
CID 142546618
CID 142546618
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol (CID 114866167) is 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol is CCCC(O)(CCC)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol?
The InChIKey is DNMUVVLDDAGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-3-9-13(18,10-4-2)11-7-5-6-8-12(11)19-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol?
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol has a molecular weight of 276.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]heptan-4-ol is sourced from PubChem (CID 114866167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).