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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Related Compounds

5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
CID 37155018
methyl (4S)-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7818072
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 25355031
2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
CID 54775886
(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 25340350
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[5-(4-aminophenyl)furan-2-yl]-(4-fluorophenyl)methanone
CID 134836163
(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7860358
(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5395923
4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135658736
5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661565
3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 4094225

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).