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

C14H13F3O2 — CID 55097829

IUPAC1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3O2/c1-2-11(18)13-8-7-12(19-13)9-5-3-4-6-10(9)14(15,16)17/h3-8,11,18H,2H2,1H3
InChIKeyPKTPXRTZRMAGGT-UHFFFAOYSA-N
MW270.25 g/mol
LogP4.41
Rot. Bonds3

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

1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (PubChem CID 55097829) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
PubChem CID55097829
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3O2/c1-2-11(18)13-8-7-12(19-13)9-5-3-4-6-10(9)14(15,16)17/h3-8,11,18H,2H2,1H3
InChIKeyPKTPXRTZRMAGGT-UHFFFAOYSA-N
XLogP4.41
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62500368
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 62633836
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol
CID 62633645
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105
1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol
CID 62633834
N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 43624682
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170887550
1-[5-(2,4-dimethylphenyl)furan-2-yl]propan-1-ol
CID 62633649
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62498917
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (CID 55097829) is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The InChIKey is PKTPXRTZRMAGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O2/c1-2-11(18)13-8-7-12(19-13)9-5-3-4-6-10(9)14(15,16)17/h3-8,11,18H,2H2,1H3.
What are the key properties of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol has a molecular weight of 270.25 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is sourced from PubChem (CID 55097829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).