(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine

C15H17F4NO — CID 175181632

IUPAC(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine
SMILESFc1ccc(C2(C[C@H]3COCCN3)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F4NO/c16-13-2-1-10(7-12(13)15(17,18)19)14(3-4-14)8-11-9-21-6-5-20-11/h1-2,7,11,20H,3-6,8-9H2/t11-/m0/s1
InChIKeyUQQYAIFDQGAKMK-NSHDSACASA-N
MW303.30 g/mol
LogP3.25
Rot. Bonds3

About (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine

(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine (PubChem CID 175181632) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine
PubChem CID175181632
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine
SMILESFc1ccc(C2(C[C@H]3COCCN3)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F4NO/c16-13-2-1-10(7-12(13)15(17,18)19)14(3-4-14)8-11-9-21-6-5-20-11/h1-2,7,11,20H,3-6,8-9H2/t11-/m0/s1
InChIKeyUQQYAIFDQGAKMK-NSHDSACASA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine?
The IUPAC name of (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine (CID 175181632) is (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine.
What is the SMILES notation for (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine?
The canonical SMILES for (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine is Fc1ccc(C2(C[C@H]3COCCN3)CC2)cc1C(F)(F)F.
What is the InChIKey of (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine?
The InChIKey is UQQYAIFDQGAKMK-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F4NO/c16-13-2-1-10(7-12(13)15(17,18)19)14(3-4-14)8-11-9-21-6-5-20-11/h1-2,7,11,20H,3-6,8-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine?
(3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine has a molecular weight of 303.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methyl]morpholine is sourced from PubChem (CID 175181632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).