2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine

C10H18FNO — CID 107443766

IUPAC2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1=CCCO1
InChIInChI=1S/C10H18FNO/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h4,7-8,10H,3,5-6,12H2,1-2H3
InChIKeyVTBQLEJOPNVXSP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.86
Rot. Bonds4

About 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine

2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine (PubChem CID 107443766) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
PubChem CID107443766
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1=CCCO1
InChIInChI=1S/C10H18FNO/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h4,7-8,10H,3,5-6,12H2,1-2H3
InChIKeyVTBQLEJOPNVXSP-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine (CID 107443766) is 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1=CCCO1.
What is the InChIKey of 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine?
The InChIKey is VTBQLEJOPNVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h4,7-8,10H,3,5-6,12H2,1-2H3.
What are the key properties of 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine?
2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydrofuran-5-yl(fluoro)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).