(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine

C9H8ClF2NO — CID 131151157

IUPAC(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c(Cl)cc(F)c(F)c21
InChIInChI=1S/C9H8ClF2NO/c10-4-3-5(11)8(12)7-6(13)1-2-14-9(4)7/h3,6H,1-2,13H2/t6-/m1/s1
InChIKeyMWHAOQUMATUILZ-ZCFIWIBFSA-N
MW219.62 g/mol
LogP2.40
Rot. Bonds

About (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131151157) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID131151157
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c(Cl)cc(F)c(F)c21
InChIInChI=1S/C9H8ClF2NO/c10-4-3-5(11)8(12)7-6(13)1-2-14-9(4)7/h3,6H,1-2,13H2/t6-/m1/s1
InChIKeyMWHAOQUMATUILZ-ZCFIWIBFSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-8-bromo-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252127
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(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)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131393207
(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-bromo-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107100721

Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine (CID 131151157) is (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2c(Cl)cc(F)c(F)c21.
What is the InChIKey of (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MWHAOQUMATUILZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c10-4-3-5(11)8(12)7-6(13)1-2-14-9(4)7/h3,6H,1-2,13H2/t6-/m1/s1.
What are the key properties of (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 219.62 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131151157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).