1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine

C12H11ClFNO — CID 83175328

IUPAC1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFNO/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyQRWXASMPFUNDQK-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine

1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine (PubChem CID 83175328) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
PubChem CID83175328
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFNO/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyQRWXASMPFUNDQK-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387
1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029176
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524242
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
2-(furan-2-yl)-1-(2-iodophenyl)ethanamine
CID 105029496
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine (CID 83175328) is 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine is NC(Cc1ccco1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is QRWXASMPFUNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine?
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine has a molecular weight of 239.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 83175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).