2-fluoro-2-(furan-3-yl)pentan-1-amine

C9H14FNO — CID 112567672

IUPAC2-fluoro-2-(furan-3-yl)pentan-1-amine
SMILESCCCC(F)(CN)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h3,5-6H,2,4,7,11H2,1H3
InChIKeyRCDNWQMOJOPOSS-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-2-(furan-3-yl)pentan-1-amine

2-fluoro-2-(furan-3-yl)pentan-1-amine (PubChem CID 112567672) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-2-(furan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(furan-3-yl)pentan-1-amine
PubChem CID112567672
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-2-(furan-3-yl)pentan-1-amine
SMILESCCCC(F)(CN)c1ccoc1
InChIInChI=1S/C9H14FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h3,5-6H,2,4,7,11H2,1H3
InChIKeyRCDNWQMOJOPOSS-UHFFFAOYSA-N
XLogP2.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(furan-3-yl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(furan-3-yl)pentan-1-amine (CID 112567672) is 2-fluoro-2-(furan-3-yl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(furan-3-yl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(furan-3-yl)pentan-1-amine is CCCC(F)(CN)c1ccoc1.
What is the InChIKey of 2-fluoro-2-(furan-3-yl)pentan-1-amine?
The InChIKey is RCDNWQMOJOPOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-4-9(10,7-11)8-3-5-12-6-8/h3,5-6H,2,4,7,11H2,1H3.
What are the key properties of 2-fluoro-2-(furan-3-yl)pentan-1-amine?
2-fluoro-2-(furan-3-yl)pentan-1-amine has a molecular weight of 171.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(furan-3-yl)pentan-1-amine is sourced from PubChem (CID 112567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).