2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine

C13H12FNO — CID 54776118

IUPAC2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine
SMILESNC1CC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H12FNO/c14-9-3-1-8(2-4-9)12-5-6-13(16-12)10-7-11(10)15/h1-6,10-11H,7,15H2
InChIKeyMQJNXLOWTVHZCF-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.90
Rot. Bonds2

About 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine

2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine (PubChem CID 54776118) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine
PubChem CID54776118
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine
SMILESNC1CC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H12FNO/c14-9-3-1-8(2-4-9)12-5-6-13(16-12)10-7-11(10)15/h1-6,10-11H,7,15H2
InChIKeyMQJNXLOWTVHZCF-UHFFFAOYSA-N
XLogP2.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine?
The IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine (CID 54776118) is 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine is NC1CC1c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine?
The InChIKey is MQJNXLOWTVHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-9-3-1-8(2-4-9)12-5-6-13(16-12)10-7-11(10)15/h1-6,10-11H,7,15H2.
What are the key properties of 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine?
2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine has a molecular weight of 217.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 54776118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).