(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine

C14H20F3NOS — CID 95551365

IUPAC(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1ccc(CN2CCO[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C14H20F3NOS/c1-2-3-4-11-5-6-12(20-11)9-18-7-8-19-13(10-18)14(15,16)17/h5-6,13H,2-4,7-10H2,1H3/t13-/m1/s1
InChIKeyWDCFJNWTHWLFAA-CYBMUJFWSA-N
MW307.38 g/mol
LogP3.85
Rot. Bonds5

About (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine

(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95551365) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID95551365
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1ccc(CN2CCO[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C14H20F3NOS/c1-2-3-4-11-5-6-12(20-11)9-18-7-8-19-13(10-18)14(15,16)17/h5-6,13H,2-4,7-10H2,1H3/t13-/m1/s1
InChIKeyWDCFJNWTHWLFAA-CYBMUJFWSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Thienylthioformyl)-morpholine
CID 292699
4-(Thiophen-2-ylmethyl)morpholine
CID 240843
4-[[5-(Morpholin-4-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 134109842
2-(5-Methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine
CID 43146823
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 71932902
2-(5-Methylthiophen-2-yl)-1-morpholin-4-ylethanethione
CID 85982618
N-[(5-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)ethanamine
CID 2997075
N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 51081592
(3S)-3-ethyl-4-{[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl}morpholine
CID 70754291
(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163327
1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine
CID 99949765

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine (CID 95551365) is (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine is CCCCc1ccc(CN2CCO[C@@H](C(F)(F)F)C2)s1.
What is the InChIKey of (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is WDCFJNWTHWLFAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-2-3-4-11-5-6-12(20-11)9-18-7-8-19-13(10-18)14(15,16)17/h5-6,13H,2-4,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 307.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95551365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).