2-fluoropropane;(5-methylfuran-2-yl)methanamine

C9H16FNO — CID 142882995

IUPAC2-fluoropropane;(5-methylfuran-2-yl)methanamine
SMILESCC(C)F.Cc1ccc(CN)o1
InChIInChI=1S/C6H9NO.C3H7F/c1-5-2-3-6(4-7)8-5;1-3(2)4/h2-3H,4,7H2,1H3;3H,1-2H3
InChIKeyFXLYXEPRPSGSKC-UHFFFAOYSA-N
MW173.23 g/mol
LogP2.41
Rot. Bonds1

About 2-fluoropropane;(5-methylfuran-2-yl)methanamine

2-fluoropropane;(5-methylfuran-2-yl)methanamine (PubChem CID 142882995) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoropropane;(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name2-fluoropropane;(5-methylfuran-2-yl)methanamine
PubChem CID142882995
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoropropane;(5-methylfuran-2-yl)methanamine
SMILESCC(C)F.Cc1ccc(CN)o1
InChIInChI=1S/C6H9NO.C3H7F/c1-5-2-3-6(4-7)8-5;1-3(2)4/h2-3H,4,7H2,1H3;3H,1-2H3
InChIKeyFXLYXEPRPSGSKC-UHFFFAOYSA-N
XLogP2.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane;(5-methylfuran-2-yl)methanamine?
The IUPAC name of 2-fluoropropane;(5-methylfuran-2-yl)methanamine (CID 142882995) is 2-fluoropropane;(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 2-fluoropropane;(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 2-fluoropropane;(5-methylfuran-2-yl)methanamine is CC(C)F.Cc1ccc(CN)o1.
What is the InChIKey of 2-fluoropropane;(5-methylfuran-2-yl)methanamine?
The InChIKey is FXLYXEPRPSGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H7F/c1-5-2-3-6(4-7)8-5;1-3(2)4/h2-3H,4,7H2,1H3;3H,1-2H3.
What are the key properties of 2-fluoropropane;(5-methylfuran-2-yl)methanamine?
2-fluoropropane;(5-methylfuran-2-yl)methanamine has a molecular weight of 173.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane;(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 142882995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).