1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene

C13H15F3O — CID 169282336

IUPAC1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
SMILESC=C[C@](C)(CC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-4-12(3,5-2)10-6-8-11(9-7-10)17-13(14,15)16/h4,6-9H,1,5H2,2-3H3/t12-/m1/s1
InChIKeyGSYHEPFVQOYPQV-GFCCVEGCSA-N
MW244.26 g/mol
LogP4.44
Rot. Bonds4

About 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene

1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene (PubChem CID 169282336) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
PubChem CID169282336
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
SMILESC=C[C@](C)(CC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-4-12(3,5-2)10-6-8-11(9-7-10)17-13(14,15)16/h4,6-9H,1,5H2,2-3H3/t12-/m1/s1
InChIKeyGSYHEPFVQOYPQV-GFCCVEGCSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylpent-1-en-3-yl)-4-(trifluoromethoxy)benzene
CID 170248741
1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene
CID 144776562
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036
1-(2-isocyanatopropan-2-yl)-4-(trifluoromethoxy)benzene
CID 165460833
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(3-methylpenta-1,4-dien-3-yl)-3-(trifluoromethoxy)benzene
CID 169282369
2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-2-methylbutanenitrile
CID 79136280
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 122380184
3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
CID 115919540
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene (CID 169282336) is 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene is C=C[C@](C)(CC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene?
The InChIKey is GSYHEPFVQOYPQV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3O/c1-4-12(3,5-2)10-6-8-11(9-7-10)17-13(14,15)16/h4,6-9H,1,5H2,2-3H3/t12-/m1/s1.
What are the key properties of 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene?
1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene has a molecular weight of 244.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 169282336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).