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

C12H13F3O — CID 71084107

IUPAC2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1OCC1CC1
InChIInChI=1S/C12H13F3O/c1-8-2-5-10(12(13,14)15)6-11(8)16-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
InChIKeyAOMJVEWCRLAFHR-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.80
Rot. Bonds3

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

2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene (PubChem CID 71084107) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
PubChem CID71084107
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1OCC1CC1
InChIInChI=1S/C12H13F3O/c1-8-2-5-10(12(13,14)15)6-11(8)16-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
InChIKeyAOMJVEWCRLAFHR-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene (CID 71084107) is 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is AOMJVEWCRLAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-8-2-5-10(12(13,14)15)6-11(8)16-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene?
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 230.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71084107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).