1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene

C18H25F3O — CID 145018578

IUPAC1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene
SMILESC/C=C(/C)C(CCCOc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C18H25F3O/c1-5-14(4)17(13(2)3)10-7-11-22-16-9-6-8-15(12-16)18(19,20)21/h5-6,8-9,12-13,17H,7,10-11H2,1-4H3/b14-5-
InChIKeyLZPXYPYXCDHSFG-RZNTYIFUSA-N
MW314.39 g/mol
LogP6.10
Rot. Bonds7

About 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene

1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene (PubChem CID 145018578) has the molecular formula C18H25F3O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene
PubChem CID145018578
Molecular FormulaC18H25F3O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene
SMILESC/C=C(/C)C(CCCOc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C18H25F3O/c1-5-14(4)17(13(2)3)10-7-11-22-16-9-6-8-15(12-16)18(19,20)21/h5-6,8-9,12-13,17H,7,10-11H2,1-4H3/b14-5-
InChIKeyLZPXYPYXCDHSFG-RZNTYIFUSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(3-propan-2-ylsulfanylpropoxy)-3-(trifluoromethyl)benzene
CID 71429774
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene (CID 145018578) is 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene is C/C=C(/C)C(CCCOc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene?
The InChIKey is LZPXYPYXCDHSFG-RZNTYIFUSA-N. The full InChI is InChI=1S/C18H25F3O/c1-5-14(4)17(13(2)3)10-7-11-22-16-9-6-8-15(12-16)18(19,20)21/h5-6,8-9,12-13,17H,7,10-11H2,1-4H3/b14-5-.
What are the key properties of 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene?
1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene has a molecular weight of 314.39 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 145018578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).