(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol

C19H20F3NO3 — CID 18448094

IUPAC(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H20F3NO3/c1-18(23,13-24)10-9-16-8-7-15(26-16)6-3-11-25-17-5-2-4-14(12-17)19(20,21)22/h2,4-5,7-8,12,24H,9-11,13,23H2,1H3/t18-/m1/s1
InChIKeyDVBXRISQDDUCFA-GOSISDBHSA-N
MW367.37 g/mol
LogP3.37
Rot. Bonds6

About (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol

(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol (PubChem CID 18448094) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol
PubChem CID18448094
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H20F3NO3/c1-18(23,13-24)10-9-16-8-7-15(26-16)6-3-11-25-17-5-2-4-14(12-17)19(20,21)22/h2,4-5,7-8,12,24H,9-11,13,23H2,1H3/t18-/m1/s1
InChIKeyDVBXRISQDDUCFA-GOSISDBHSA-N
XLogP3.37
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-[5-[3-(4-chlorophenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol;oxalic acid
CID 66673114
bis[(2R)-2-amino-2-methyl-4-[5-(4-phenoxybut-1-ynyl)furan-2-yl]butyl] oxalate
CID 66673234
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]propanamide
CID 90575804
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
3,5-bis(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 121131554
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2,2-dimethyl-4-[3-(trifluoromethyl)phenoxy]butanethioamide
CID 65247944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol (CID 18448094) is (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol is C[C@](N)(CO)CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol?
The InChIKey is DVBXRISQDDUCFA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-18(23,13-24)10-9-16-8-7-15(26-16)6-3-11-25-17-5-2-4-14(12-17)19(20,21)22/h2,4-5,7-8,12,24H,9-11,13,23H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol?
(2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol has a molecular weight of 367.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-[5-[3-[3-(trifluoromethyl)phenoxy]prop-1-ynyl]furan-2-yl]butan-1-ol is sourced from PubChem (CID 18448094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).