5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol

C10H13F3OS — CID 115516207

IUPAC5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
SMILESCc1cscc1C(O)CCCC(F)(F)F
InChIInChI=1S/C10H13F3OS/c1-7-5-15-6-8(7)9(14)3-2-4-10(11,12)13/h5-6,9,14H,2-4H2,1H3
InChIKeySCSGDKNTCSZSNX-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.82
Rot. Bonds4

About 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol

5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol (PubChem CID 115516207) has the molecular formula C10H13F3OS and a molecular weight of 238.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
PubChem CID115516207
Molecular FormulaC10H13F3OS
Molecular Weight238.27 g/mol
Exact Mass238.06
IUPAC Name5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
SMILESCc1cscc1C(O)CCCC(F)(F)F
InChIInChI=1S/C10H13F3OS/c1-7-5-15-6-8(7)9(14)3-2-4-10(11,12)13/h5-6,9,14H,2-4H2,1H3
InChIKeySCSGDKNTCSZSNX-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

1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
CID 104804116
3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 82919949
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828321
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
2-hydroxy-2-(4-methylthiophen-3-yl)ethanesulfonic acid
CID 175129954
1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 107103457
1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
CID 105329005
1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
CID 115808765

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol (CID 115516207) is 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol is Cc1cscc1C(O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol?
The InChIKey is SCSGDKNTCSZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3OS/c1-7-5-15-6-8(7)9(14)3-2-4-10(11,12)13/h5-6,9,14H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol?
5,5,5-trifluoro-1-(4-methylthiophen-3-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-(4-methylthiophen-3-yl)pentan-1-ol is sourced from PubChem (CID 115516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).