3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol

C14H13F3O2 — CID 170887550

IUPAC3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESOCCCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3O2/c15-14(16,17)12-6-2-1-5-11(12)13-8-7-10(19-13)4-3-9-18/h1-2,5-8,18H,3-4,9H2
InChIKeyWEIRTCPFMSDQOI-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.89
Rot. Bonds4

About 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol

3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (PubChem CID 170887550) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
PubChem CID170887550
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESOCCCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3O2/c15-14(16,17)12-6-2-1-5-11(12)13-8-7-10(19-13)4-3-9-18/h1-2,5-8,18H,3-4,9H2
InChIKeyWEIRTCPFMSDQOI-UHFFFAOYSA-N
XLogP3.89
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 43624682
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62500368
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 55097829
N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 51057322
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1-benzofuran-3,6,7-triol
CID 91415917
3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
CID 119303213
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]propanedinitrile
CID 736983
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]ethanol
CID 66689482
[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol
CID 167962951
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The IUPAC name of 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (CID 170887550) is 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is OCCCc1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The InChIKey is WEIRTCPFMSDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O2/c15-14(16,17)12-6-2-1-5-11(12)13-8-7-10(19-13)4-3-9-18/h1-2,5-8,18H,3-4,9H2.
What are the key properties of 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol has a molecular weight of 270.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is sourced from PubChem (CID 170887550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).