5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol

C10H13F3OS — CID 115515429

IUPAC5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
SMILESCc1ccc(C(O)CCCC(F)(F)F)s1
InChIInChI=1S/C10H13F3OS/c1-7-4-5-9(15-7)8(14)3-2-6-10(11,12)13/h4-5,8,14H,2-3,6H2,1H3
InChIKeyGLXQHBZMJGABDD-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.82
Rot. Bonds4

About 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol

5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol (PubChem CID 115515429) has the molecular formula C10H13F3OS and a molecular weight of 238.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
PubChem CID115515429
Molecular FormulaC10H13F3OS
Molecular Weight238.27 g/mol
Exact Mass238.06
IUPAC Name5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
SMILESCc1ccc(C(O)CCCC(F)(F)F)s1
InChIInChI=1S/C10H13F3OS/c1-7-4-5-9(15-7)8(14)3-2-6-10(11,12)13/h4-5,8,14H,2-3,6H2,1H3
InChIKeyGLXQHBZMJGABDD-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(5-methylthiophen-2-yl)ethanol
CID 83001254
4-methoxy-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 105109245
methyl 2-[5-(6,6,6-trifluoro-1-hydroxyhexyl)thiophen-2-yl]butanoate
CID 150006655
1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
CID 115808765
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
2-azido-1-(5-methylthiophen-2-yl)ethanol
CID 83093251
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117239992
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
(1S)-3-(1,3-dioxan-2-yl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 97293265
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 115516207

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol (CID 115515429) is 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol is Cc1ccc(C(O)CCCC(F)(F)F)s1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol?
The InChIKey is GLXQHBZMJGABDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3OS/c1-7-4-5-9(15-7)8(14)3-2-6-10(11,12)13/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol?
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol has a molecular weight of 238.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 115515429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).