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

C14H20F3NOS — CID 56871312

IUPAC4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1ccc(CN2CCOC(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
InChIKeyWDCFJNWTHWLFAA-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.85
Rot. Bonds5

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

4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56871312) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56871312
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCCCc1ccc(CN2CCOC(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
InChIKeyWDCFJNWTHWLFAA-UHFFFAOYSA-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

(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
(3S)-1-[(5-butylthiophen-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 99961651
4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
CID 56874321
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549733
N-[[5-[(2-ethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555922
(2R)-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95445368
N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95455727
5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 56862557

Frequently Asked Questions

What is the IUPAC name of 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine (CID 56871312) is 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine is CCCCc1ccc(CN2CCOC(C(F)(F)F)C2)s1.
What is the InChIKey of 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is WDCFJNWTHWLFAA-UHFFFAOYSA-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.
What are the key properties of 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine?
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 4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56871312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).