4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene

C13H13F3O — CID 175665814

IUPAC4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OCC2CC2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3O/c1-2-10-5-6-11(17-8-9-3-4-9)7-12(10)13(14,15)16/h2,5-7,9H,1,3-4,8H2
InChIKeyVTMFSVOYGCXSPE-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.14
Rot. Bonds4

About 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene

4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene (PubChem CID 175665814) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene
PubChem CID175665814
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OCC2CC2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3O/c1-2-10-5-6-11(17-8-9-3-4-9)7-12(10)13(14,15)16/h2,5-7,9H,1,3-4,8H2
InChIKeyVTMFSVOYGCXSPE-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 175665845
4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
CID 175665804
4-(cyclopropylmethoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 22501934
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 62383274
1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 58141008
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868
4-[(2S)-but-3-en-2-yl]-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene
CID 146228264
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol
CID 67777563

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene (CID 175665814) is 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene is C=Cc1ccc(OCC2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene?
The InChIKey is VTMFSVOYGCXSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-2-10-5-6-11(17-8-9-3-4-9)7-12(10)13(14,15)16/h2,5-7,9H,1,3-4,8H2.
What are the key properties of 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene?
4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene has a molecular weight of 242.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 175665814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).