2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol

C14H15FOS — CID 79443461

IUPAC2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
SMILESOCC(CCc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H15FOS/c15-14-3-1-2-12(8-14)13(9-16)5-4-11-6-7-17-10-11/h1-3,6-8,10,13,16H,4-5,9H2
InChIKeyWQPQQCUNGAEMKA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol

2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol (PubChem CID 79443461) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
PubChem CID79443461
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
SMILESOCC(CCc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H15FOS/c15-14-3-1-2-12(8-14)13(9-16)5-4-11-6-7-17-10-11/h1-3,6-8,10,13,16H,4-5,9H2
InChIKeyWQPQQCUNGAEMKA-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79442182
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol (CID 79443461) is 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol is OCC(CCc1ccsc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol?
The InChIKey is WQPQQCUNGAEMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c15-14-3-1-2-12(8-14)13(9-16)5-4-11-6-7-17-10-11/h1-3,6-8,10,13,16H,4-5,9H2.
What are the key properties of 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol?
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol is sourced from PubChem (CID 79443461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).