2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene

C21H22F4O — CID 67676612

IUPAC2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene
SMILESCCC/C(=C/c1ccc(CCC)cc1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C21H22F4O/c1-3-5-15-7-9-16(10-8-15)13-17(6-4-2)18-11-12-20(19(22)14-18)26-21(23,24)25/h7-14H,3-6H2,1-2H3/b17-13-
InChIKeyRIIMLUHWUITXPV-LGMDPLHJSA-N
MW366.40 g/mol
LogP7.02
Rot. Bonds7

About 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene

2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene (PubChem CID 67676612) has the molecular formula C21H22F4O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene
PubChem CID67676612
Molecular FormulaC21H22F4O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene
SMILESCCC/C(=C/c1ccc(CCC)cc1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C21H22F4O/c1-3-5-15-7-9-16(10-8-15)13-17(6-4-2)18-11-12-20(19(22)14-18)26-21(23,24)25/h7-14H,3-6H2,1-2H3/b17-13-
InChIKeyRIIMLUHWUITXPV-LGMDPLHJSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
4-[2-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 54248831
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
methyl 5-(4-propylphenyl)-2-(trifluoromethoxy)benzoate
CID 71192054
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850801

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene (CID 67676612) is 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene is CCC/C(=C/c1ccc(CCC)cc1)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene?
The InChIKey is RIIMLUHWUITXPV-LGMDPLHJSA-N. The full InChI is InChI=1S/C21H22F4O/c1-3-5-15-7-9-16(10-8-15)13-17(6-4-2)18-11-12-20(19(22)14-18)26-21(23,24)25/h7-14H,3-6H2,1-2H3/b17-13-.
What are the key properties of 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene?
2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene has a molecular weight of 366.40 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 67676612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).