4-methyl-2-(2,2,2-trifluoroethyl)thiophene

C7H7F3S — CID 118566601

IUPAC4-methyl-2-(2,2,2-trifluoroethyl)thiophene
SMILESCc1csc(CC(F)(F)F)c1
InChIInChI=1S/C7H7F3S/c1-5-2-6(11-4-5)3-7(8,9)10/h2,4H,3H2,1H3
InChIKeySGXSJPNEPGOOMG-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.16
Rot. Bonds1

About 4-methyl-2-(2,2,2-trifluoroethyl)thiophene

4-methyl-2-(2,2,2-trifluoroethyl)thiophene (PubChem CID 118566601) has the molecular formula C7H7F3S and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethyl)thiophene.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethyl)thiophene
PubChem CID118566601
Molecular FormulaC7H7F3S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name4-methyl-2-(2,2,2-trifluoroethyl)thiophene
SMILESCc1csc(CC(F)(F)F)c1
InChIInChI=1S/C7H7F3S/c1-5-2-6(11-4-5)3-7(8,9)10/h2,4H,3H2,1H3
InChIKeySGXSJPNEPGOOMG-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene
CID 166969141
N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine
CID 121208423
ethane;2-ethyl-4-methylthiophene
CID 144673037
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689
4-methyl-2-pentylthiophene
CID 138747732
2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal
CID 87305345
ethyl 2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate;ethyl 5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate
CID 158851962
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
ethane;2-fluoro-4-methylthiophene
CID 155692826
(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
CID 55296384
2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338
4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969911

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)thiophene?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)thiophene (CID 118566601) is 4-methyl-2-(2,2,2-trifluoroethyl)thiophene.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethyl)thiophene?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethyl)thiophene is Cc1csc(CC(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethyl)thiophene?
The InChIKey is SGXSJPNEPGOOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3S/c1-5-2-6(11-4-5)3-7(8,9)10/h2,4H,3H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethyl)thiophene?
4-methyl-2-(2,2,2-trifluoroethyl)thiophene has a molecular weight of 180.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethyl)thiophene is sourced from PubChem (CID 118566601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).