7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one

C14H17F3O2 — CID 66784650

IUPAC7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
SMILESO=C(CCCCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)12-8-6-11(7-9-12)13(19)5-3-1-2-4-10-18/h6-9,18H,1-5,10H2
InChIKeyOILAJDYBLIPBTR-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.83
Rot. Bonds7

About 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one

7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one (PubChem CID 66784650) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one.

Molecular Properties

Compound Name7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
PubChem CID66784650
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
SMILESO=C(CCCCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)12-8-6-11(7-9-12)13(19)5-3-1-2-4-10-18/h6-9,18H,1-5,10H2
InChIKeyOILAJDYBLIPBTR-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
CID 54339504
ethyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 24727520
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
CID 129088557
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
(Z)-7-bromo-1-[4-(trifluoromethyl)phenyl]hept-5-en-1-one
CID 10735493
1-phenyl-5-[4-(trifluoromethyl)anilino]pentan-1-one
CID 177394657
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one?
The IUPAC name of 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one (CID 66784650) is 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one.
What is the SMILES notation for 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one?
The canonical SMILES for 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one is O=C(CCCCCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one?
The InChIKey is OILAJDYBLIPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c15-14(16,17)12-8-6-11(7-9-12)13(19)5-3-1-2-4-10-18/h6-9,18H,1-5,10H2.
What are the key properties of 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one?
7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one has a molecular weight of 274.28 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one is sourced from PubChem (CID 66784650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).