2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile

C14H13FN2O2 — CID 82484359

IUPAC2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2coc(N)c2C#N)cc1F
InChIInChI=1S/C14H13FN2O2/c1-8(2)19-13-4-3-9(5-12(13)15)11-7-18-14(17)10(11)6-16/h3-5,7-8H,17H2,1-2H3
InChIKeyLYHSFGHASSGAIQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.33
Rot. Bonds3

About 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile

2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile (PubChem CID 82484359) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
PubChem CID82484359
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2coc(N)c2C#N)cc1F
InChIInChI=1S/C14H13FN2O2/c1-8(2)19-13-4-3-9(5-12(13)15)11-7-18-14(17)10(11)6-16/h3-5,7-8H,17H2,1-2H3
InChIKeyLYHSFGHASSGAIQ-UHFFFAOYSA-N
XLogP3.33
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
CID 82476521
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
2-amino-4-(4-methoxyphenyl)furan-3-carbonitrile
CID 69209744
2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
CID 82477297
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile
CID 96664729
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
CID 82487308
2-amino-4-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 98019781
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-imidazol-2-amine
CID 82291079
[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82485077
2-amino-4-(4-cyclohexylphenyl)furan-3-carbonitrile
CID 82487040

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile (CID 82484359) is 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile is CC(C)Oc1ccc(-c2coc(N)c2C#N)cc1F.
What is the InChIKey of 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile?
The InChIKey is LYHSFGHASSGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8(2)19-13-4-3-9(5-12(13)15)11-7-18-14(17)10(11)6-16/h3-5,7-8H,17H2,1-2H3.
What are the key properties of 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile?
2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile has a molecular weight of 260.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile is sourced from PubChem (CID 82484359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).