2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene

C18H13F3S — CID 151107275

IUPAC2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene
SMILESFC(F)(F)c1ccc(Cc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H13F3S/c19-18(20,21)15-8-6-13(7-9-15)12-16-10-11-17(22-16)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyMPJIDGHCVZPXJO-UHFFFAOYSA-N
MW318.36 g/mol
LogP6.02
Rot. Bonds3

About 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene

2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene (PubChem CID 151107275) has the molecular formula C18H13F3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene.

Molecular Properties

Compound Name2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene
PubChem CID151107275
Molecular FormulaC18H13F3S
Molecular Weight318.36 g/mol
Exact Mass318.07
IUPAC Name2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene
SMILESFC(F)(F)c1ccc(Cc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H13F3S/c19-18(20,21)15-8-6-13(7-9-15)12-16-10-11-17(22-16)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyMPJIDGHCVZPXJO-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(5-benzylthiophen-2-yl)phenyl]methanamine
CID 162008668
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
2-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]thiophene;[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
CID 158014207
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
(5-phenylthiophen-2-yl)methanamine
CID 11993875
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
2-phenyl-5-(3-phenylpropyl)thiophene
CID 15666584
6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 90448755
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210126

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene?
The IUPAC name of 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene (CID 151107275) is 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene.
What is the SMILES notation for 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene?
The canonical SMILES for 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene is FC(F)(F)c1ccc(Cc2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene?
The InChIKey is MPJIDGHCVZPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3S/c19-18(20,21)15-8-6-13(7-9-15)12-16-10-11-17(22-16)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene?
2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene has a molecular weight of 318.36 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene is sourced from PubChem (CID 151107275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).