1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene

C12H13F3O — CID 175665810

IUPAC1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OC(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-4-9-5-6-10(16-8(2)3)7-11(9)12(13,14)15/h4-8H,1H2,2-3H3
InChIKeyRKEFMFZSGMQEQA-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.14
Rot. Bonds3

About 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene

1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene (PubChem CID 175665810) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
PubChem CID175665810
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OC(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-4-9-5-6-10(16-8(2)3)7-11(9)12(13,14)15/h4-8H,1H2,2-3H3
InChIKeyRKEFMFZSGMQEQA-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 66845513
3-ethenyl-4-(2-ethenyl-5-propan-2-yloxyphenyl)phenol
CID 126487461
4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene
CID 175665814
2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
CID 167531102
6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
CID 166609371
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
CID 173224247
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
1-(3,3-dichloroprop-2-enoxy)-4-(4-propan-2-yloxyphenoxy)-2-(trifluoromethyl)benzene
CID 21466330
1,2-dimethyl-3-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 75493865
1-[4-methoxy-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 130319279
3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene (CID 175665810) is 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene is C=Cc1ccc(OC(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene?
The InChIKey is RKEFMFZSGMQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-4-9-5-6-10(16-8(2)3)7-11(9)12(13,14)15/h4-8H,1H2,2-3H3.
What are the key properties of 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene?
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene has a molecular weight of 230.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 175665810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).