2-pentyl-5-(trifluoromethyl)thiophene

C10H13F3S — CID 143267896

IUPAC2-pentyl-5-(trifluoromethyl)thiophene
SMILESCCCCCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3S/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyOBEOGYISNFXDSK-UHFFFAOYSA-N
MW222.27 g/mol
LogP4.50
Rot. Bonds4

About 2-pentyl-5-(trifluoromethyl)thiophene

2-pentyl-5-(trifluoromethyl)thiophene (PubChem CID 143267896) has the molecular formula C10H13F3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-pentyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-pentyl-5-(trifluoromethyl)thiophene
PubChem CID143267896
Molecular FormulaC10H13F3S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-pentyl-5-(trifluoromethyl)thiophene
SMILESCCCCCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3S/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyOBEOGYISNFXDSK-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-decylthiophene
CID 140589356
2,5-diheptylthiophene
CID 607114
2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
CID 83674797
2-dodecyl-5-ethylthiophene
CID 528251
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
CID 126796868
2-(methylsulfanylmethyl)-5-pentylthiophene
CID 172739134
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
(5-pentylthiophen-2-yl)boronic acid
CID 53398606

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-pentyl-5-(trifluoromethyl)thiophene (CID 143267896) is 2-pentyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-pentyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-pentyl-5-(trifluoromethyl)thiophene is CCCCCc1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-pentyl-5-(trifluoromethyl)thiophene?
The InChIKey is OBEOGYISNFXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3S/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 2-pentyl-5-(trifluoromethyl)thiophene?
2-pentyl-5-(trifluoromethyl)thiophene has a molecular weight of 222.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 143267896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).