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

C11H10F4O — CID 58479337

IUPAC2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1OCC1CC1
InChIInChI=1S/C11H10F4O/c12-9-4-3-8(11(13,14)15)5-10(9)16-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCJKSXSTVYAHYMN-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.63
Rot. Bonds3

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

2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene (PubChem CID 58479337) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
PubChem CID58479337
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1OCC1CC1
InChIInChI=1S/C11H10F4O/c12-9-4-3-8(11(13,14)15)5-10(9)16-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCJKSXSTVYAHYMN-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene (CID 58479337) is 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene?
The InChIKey is CJKSXSTVYAHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c12-9-4-3-8(11(13,14)15)5-10(9)16-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene?
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene has a molecular weight of 234.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 58479337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).