(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine

C12H13F4NO — CID 11543494

IUPAC(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c13-11-2-1-8(6-10(11)12(14,15)16)5-9-7-17-3-4-18-9/h1-2,6,9,17H,3-5,7H2/t9-/m1/s1
InChIKeyKABOLNXQJKCQOO-SECBINFHSA-N
MW263.23 g/mol
LogP2.38
Rot. Bonds2

About (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine

(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 11543494) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID11543494
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c13-11-2-1-8(6-10(11)12(14,15)16)5-9-7-17-3-4-18-9/h1-2,6,9,17H,3-5,7H2/t9-/m1/s1
InChIKeyKABOLNXQJKCQOO-SECBINFHSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine (CID 11543494) is (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine is Fc1ccc(C[C@@H]2CNCCO2)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is KABOLNXQJKCQOO-SECBINFHSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-11-2-1-8(6-10(11)12(14,15)16)5-9-7-17-3-4-18-9/h1-2,6,9,17H,3-5,7H2/t9-/m1/s1.
What are the key properties of (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine?
(2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 263.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 11543494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).