2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene

C14H13F3S — CID 164918327

IUPAC2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCCCc1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3S/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h3,5-9H,2,4H2,1H3
InChIKeyVCOTWKRTONNTBG-UHFFFAOYSA-N
MW270.32 g/mol
LogP5.39
Rot. Bonds3

About 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene

2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene (PubChem CID 164918327) has the molecular formula C14H13F3S and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
PubChem CID164918327
Molecular FormulaC14H13F3S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCCCc1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3S/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h3,5-9H,2,4H2,1H3
InChIKeyVCOTWKRTONNTBG-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene
CID 151107275
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
2,5-dipropylthiophene
CID 587485
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 79405067
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene (CID 164918327) is 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene is CCCc1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The InChIKey is VCOTWKRTONNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3S/c1-2-4-12-7-8-13(18-12)10-5-3-6-11(9-10)14(15,16)17/h3,5-9H,2,4H2,1H3.
What are the key properties of 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene?
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene has a molecular weight of 270.32 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 164918327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).