4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine

C14H18F3NO — CID 69088605

IUPAC4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1cc(N2CCOCC2)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)12-9-11(18-5-7-19-8-6-18)3-4-13(12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQQYWDXQEQXNHJV-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds2

About 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine

4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine (PubChem CID 69088605) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine
PubChem CID69088605
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1cc(N2CCOCC2)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)12-9-11(18-5-7-19-8-6-18)3-4-13(12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQQYWDXQEQXNHJV-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine (CID 69088605) is 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine is CC(C)c1cc(N2CCOCC2)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is QQYWDXQEQXNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(2)12-9-11(18-5-7-19-8-6-18)3-4-13(12)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine?
4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 273.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propan-2-yl-4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 69088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).