4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol

C8H9F3O2 — CID 64567375

IUPAC4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2
InChIKeySVYOJYHIUAVZES-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.66
Rot. Bonds3

About 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol

4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol (PubChem CID 64567375) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
PubChem CID64567375
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2
InChIKeySVYOJYHIUAVZES-UHFFFAOYSA-N
XLogP2.66
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
CID 171231940
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
1,2-bis(furan-3-yl)ethanol
CID 83172033
CID 134942666
CID 134942666
1-(furan-3-yl)but-3-yn-1-ol
CID 11252037
2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
CID 65132820
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
(1R)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine;hydrochloride
CID 171212335

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol (CID 64567375) is 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol is OC(CCC(F)(F)F)c1ccoc1.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol?
The InChIKey is SVYOJYHIUAVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2.
What are the key properties of 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol?
4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol has a molecular weight of 194.15 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol is sourced from PubChem (CID 64567375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).