(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride

C9H15ClFNO — CID 171213556

IUPAC(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
SMILESCCc1ccc([C@H](N)CCF)o1.Cl
InChIInChI=1S/C9H14FNO.ClH/c1-2-7-3-4-9(12-7)8(11)5-6-10;/h3-4,8H,2,5-6,11H2,1H3;1H/t8-;/m1./s1
InChIKeyDDLFZQVSEKEALH-DDWIOCJRSA-N
MW207.68 g/mol
LogP2.62
Rot. Bonds4

About (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171213556) has the molecular formula C9H15ClFNO and a molecular weight of 207.68 g/mol. Its IUPAC name is (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171213556
Molecular FormulaC9H15ClFNO
Molecular Weight207.68 g/mol
Exact Mass207.08
IUPAC Name(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
SMILESCCc1ccc([C@H](N)CCF)o1.Cl
InChIInChI=1S/C9H14FNO.ClH/c1-2-7-3-4-9(12-7)8(11)5-6-10;/h3-4,8H,2,5-6,11H2,1H3;1H/t8-;/m1./s1
InChIKeyDDLFZQVSEKEALH-DDWIOCJRSA-N
XLogP2.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
(1S)-1-(5-bromofuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171219569
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
CID 62345601
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
CID 62346381
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
CID 55273586
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride (CID 171213556) is (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride is CCc1ccc([C@H](N)CCF)o1.Cl.
What is the InChIKey of (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is DDLFZQVSEKEALH-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14FNO.ClH/c1-2-7-3-4-9(12-7)8(11)5-6-10;/h3-4,8H,2,5-6,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171213556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).