(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride

C10H13ClFNO — CID 171202474

IUPAC(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H12FNO.ClH/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10;/h1-2,5,9H,3-4,6,12H2;1H/t9-;/m1./s1
InChIKeyIIIQTVMCZGEVPS-SBSPUUFOSA-N
MW217.67 g/mol
LogP2.01
Rot. Bonds2

About (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride

(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride (PubChem CID 171202474) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
PubChem CID171202474
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H12FNO.ClH/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10;/h1-2,5,9H,3-4,6,12H2;1H/t9-;/m1./s1
InChIKeyIIIQTVMCZGEVPS-SBSPUUFOSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride (CID 171202474) is (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride is Cl.N[C@H](CF)c1ccc2c(c1)CCO2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride?
The InChIKey is IIIQTVMCZGEVPS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10;/h1-2,5,9H,3-4,6,12H2;1H/t9-;/m1./s1.
What are the key properties of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride?
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171202474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).