5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

C14H14F3NO2 — CID 54210740

IUPAC5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESCC(C)c1oc(N)c(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H14F3NO2/c1-7(2)12-11(19)10(13(18)20-12)8-4-3-5-9(6-8)14(15,16)17/h3-7,19H,18H2,1-2H3
InChIKeyPVTMHJBYXYKRKU-UHFFFAOYSA-N
MW285.26 g/mol
LogP4.38
Rot. Bonds2

About 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (PubChem CID 54210740) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
PubChem CID54210740
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESCC(C)c1oc(N)c(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H14F3NO2/c1-7(2)12-11(19)10(13(18)20-12)8-4-3-5-9(6-8)14(15,16)17/h3-7,19H,18H2,1-2H3
InChIKeyPVTMHJBYXYKRKU-UHFFFAOYSA-N
XLogP4.38
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 54018941
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142936042
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 43158288
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 54070349
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
methyl 2-[[4-hydroxy-5-phenyl-3-[3-(trifluoromethyl)phenyl]furan-2-yl]amino]butanoate
CID 54518861
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The IUPAC name of 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (CID 54210740) is 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.
What is the SMILES notation for 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The canonical SMILES for 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is CC(C)c1oc(N)c(-c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The InChIKey is PVTMHJBYXYKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-7(2)12-11(19)10(13(18)20-12)8-4-3-5-9(6-8)14(15,16)17/h3-7,19H,18H2,1-2H3.
What are the key properties of 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol has a molecular weight of 285.26 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is sourced from PubChem (CID 54210740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).