(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H10Cl2FNO — CID 171252255

IUPAC(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H9ClFNO.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1
InChIKeyJKXBHMGYCBQTKV-FJXQXJEOSA-N
MW238.09 g/mol
LogP2.68
Rot. Bonds

About (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252255) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252255
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H9ClFNO.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1
InChIKeyJKXBHMGYCBQTKV-FJXQXJEOSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 131151157
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015

Frequently Asked Questions

What is the IUPAC name of (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252255) is (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.N[C@H]1CCOc2c(Cl)ccc(F)c21.
What is the InChIKey of (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is JKXBHMGYCBQTKV-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H9ClFNO.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1.
What are the key properties of (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 238.09 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).