(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine

C9H9ClFNO — CID 137480705

IUPAC(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2c(ccc(Cl)c2F)C1
InChIInChI=1S/C9H9ClFNO/c10-7-2-1-5-3-6(12)4-13-9(5)8(7)11/h1-2,6H,3-4,12H2/t6-/m0/s1
InChIKeyBEFIDVSUIJVFJI-LURJTMIESA-N
MW201.63 g/mol
LogP1.74
Rot. Bonds

About (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine

(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine (PubChem CID 137480705) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine
PubChem CID137480705
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2c(ccc(Cl)c2F)C1
InChIInChI=1S/C9H9ClFNO/c10-7-2-1-5-3-6(12)4-13-9(5)8(7)11/h1-2,6H,3-4,12H2/t6-/m0/s1
InChIKeyBEFIDVSUIJVFJI-LURJTMIESA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-7-chloro-3,4-dihydro-2H-chromen-3-amine
CID 92966039
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 71742120
6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 86227477
8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
CID 135373550
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
4,5-dichloro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 134818625
7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
CID 129243893
6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 116689673
7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-amine
CID 137480568
ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate
CID 131490898

Frequently Asked Questions

What is the IUPAC name of (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine (CID 137480705) is (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine is N[C@@H]1COc2c(ccc(Cl)c2F)C1.
What is the InChIKey of (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is BEFIDVSUIJVFJI-LURJTMIESA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-7-2-1-5-3-6(12)4-13-9(5)8(7)11/h1-2,6H,3-4,12H2/t6-/m0/s1.
What are the key properties of (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine?
(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 201.63 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 137480705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).