3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol

C7H7F3O3 — CID 73069117

IUPAC3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
SMILESOCC(O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,11-12H,4H2
InChIKeyPKDOVISLQDPPGF-UHFFFAOYSA-N
MW196.12 g/mol
LogP1.02
Rot. Bonds2

About 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol

3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol (PubChem CID 73069117) has the molecular formula C7H7F3O3 and a molecular weight of 196.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
PubChem CID73069117
Molecular FormulaC7H7F3O3
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
SMILESOCC(O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,11-12H,4H2
InChIKeyPKDOVISLQDPPGF-UHFFFAOYSA-N
XLogP1.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
CID 162772868
3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
CID 130061026
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenylprop-2-ynyl)butanamide
CID 17477194
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
CID 162511568
(4-fluorophenyl)-(furan-2-yl)-phenylmethanol
CID 117061851
tris(furan-2-yl)methylsilane
CID 71354015
bis(furan-2-yl)methanediamine
CID 175922439
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol
CID 66582585
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol?
The IUPAC name of 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol (CID 73069117) is 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol.
What is the SMILES notation for 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol?
The canonical SMILES for 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol is OCC(O)(c1ccco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol?
The InChIKey is PKDOVISLQDPPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O3/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,11-12H,4H2.
What are the key properties of 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol?
3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol has a molecular weight of 196.12 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol is sourced from PubChem (CID 73069117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).