1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one

C14H15F3O2 — CID 161120964

IUPAC1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C14H15F3O2/c1-2-12(18)10-5-6-11(14(15,16)17)13(7-10)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyUKYBZXGCPYCBDC-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one

1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 161120964) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID161120964
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C14H15F3O2/c1-2-12(18)10-5-6-11(14(15,16)17)13(7-10)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyUKYBZXGCPYCBDC-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one (CID 161120964) is 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one is CCC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is UKYBZXGCPYCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-2-12(18)10-5-6-11(14(15,16)17)13(7-10)19-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one?
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 272.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 161120964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).