(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

C16H14BrF2NO — CID 104945469

IUPAC(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cccc(C(F)F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H14BrF2NO/c17-11-4-5-12-13(20)8-14(21-15(12)7-11)9-2-1-3-10(6-9)16(18)19/h1-7,13-14,16H,8,20H2/t13-,14?/m1/s1
InChIKeyQRJWVCXTAXEGNW-KWCCSABGSA-N
MW354.19 g/mol
LogP4.91
Rot. Bonds2

About (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945469) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945469
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cccc(C(F)F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H14BrF2NO/c17-11-4-5-12-13(20)8-14(21-15(12)7-11)9-2-1-3-10(6-9)16(18)19/h1-7,13-14,16H,8,20H2/t13-,14?/m1/s1
InChIKeyQRJWVCXTAXEGNW-KWCCSABGSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
CID 107694178
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659
5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (CID 104945469) is (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cccc(C(F)F)c2)Oc2cc(Br)ccc21.
What is the InChIKey of (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QRJWVCXTAXEGNW-KWCCSABGSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-11-4-5-12-13(20)8-14(21-15(12)7-11)9-2-1-3-10(6-9)16(18)19/h1-7,13-14,16H,8,20H2/t13-,14?/m1/s1.
What are the key properties of (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 354.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).