(2-fluorophenyl) 4-thiophen-2-ylbutanoate

C14H13FO2S — CID 78777100

IUPAC(2-fluorophenyl) 4-thiophen-2-ylbutanoate
SMILESO=C(CCCc1cccs1)Oc1ccccc1F
InChIInChI=1S/C14H13FO2S/c15-12-7-1-2-8-13(12)17-14(16)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyZQWAAYCFRCHYDQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.82
Rot. Bonds5

About (2-fluorophenyl) 4-thiophen-2-ylbutanoate

(2-fluorophenyl) 4-thiophen-2-ylbutanoate (PubChem CID 78777100) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-fluorophenyl) 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 4-thiophen-2-ylbutanoate
PubChem CID78777100
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name(2-fluorophenyl) 4-thiophen-2-ylbutanoate
SMILESO=C(CCCc1cccs1)Oc1ccccc1F
InChIInChI=1S/C14H13FO2S/c15-12-7-1-2-8-13(12)17-14(16)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyZQWAAYCFRCHYDQ-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl) hexanedioate
CID 91704928
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
1-O-(2-fluorophenyl) 5-O-naphthalen-1-yl pentanedioate
CID 91718911
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962685
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
(2-fluorophenyl) 3-(furan-2-yl)propanoate
CID 78776978
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313
1-O-butyl 5-O-(2-fluorophenyl) pentanedioate
CID 91709020

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 4-thiophen-2-ylbutanoate?
The IUPAC name of (2-fluorophenyl) 4-thiophen-2-ylbutanoate (CID 78777100) is (2-fluorophenyl) 4-thiophen-2-ylbutanoate.
What is the SMILES notation for (2-fluorophenyl) 4-thiophen-2-ylbutanoate?
The canonical SMILES for (2-fluorophenyl) 4-thiophen-2-ylbutanoate is O=C(CCCc1cccs1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 4-thiophen-2-ylbutanoate?
The InChIKey is ZQWAAYCFRCHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-12-7-1-2-8-13(12)17-14(16)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (2-fluorophenyl) 4-thiophen-2-ylbutanoate?
(2-fluorophenyl) 4-thiophen-2-ylbutanoate has a molecular weight of 264.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 78777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).