1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene

C15H21F3O — CID 134265966

IUPAC1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene
SMILESCCCC(CCC)c1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C15H21F3O/c1-4-6-11(7-5-2)13-9-8-12(19-3)10-14(13)15(16,17)18/h8-11H,4-7H2,1-3H3
InChIKeyTZRNMXUAXZPGCS-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.40
Rot. Bonds6

About 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene

1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene (PubChem CID 134265966) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene
PubChem CID134265966
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene
SMILESCCCC(CCC)c1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C15H21F3O/c1-4-6-11(7-5-2)13-9-8-12(19-3)10-14(13)15(16,17)18/h8-11H,4-7H2,1-3H3
InChIKeyTZRNMXUAXZPGCS-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269180
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
ethyl (3S)-3-amino-2-fluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171249131
ethyl (3R)-3-amino-2-fluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242404
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171269178

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene (CID 134265966) is 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene is CCCC(CCC)c1ccc(OC)cc1C(F)(F)F.
What is the InChIKey of 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is TZRNMXUAXZPGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-4-6-11(7-5-2)13-9-8-12(19-3)10-14(13)15(16,17)18/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene?
1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 274.33 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 134265966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).