(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine

C11H12BrF2NO — CID 68594787

IUPAC(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
SMILESN[C@@H]1CC(CF)(CF)Oc2cc(Br)ccc21
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-8-9(15)4-11(5-13,6-14)16-10(8)3-7/h1-3,9H,4-6,15H2/t9-/m1/s1
InChIKeyJCCLANMEAGOERZ-SECBINFHSA-N
MW292.12 g/mol
LogP2.91
Rot. Bonds2

About (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine

(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine (PubChem CID 68594787) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
PubChem CID68594787
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
SMILESN[C@@H]1CC(CF)(CF)Oc2cc(Br)ccc21
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-8-9(15)4-11(5-13,6-14)16-10(8)3-7/h1-3,9H,4-6,15H2/t9-/m1/s1
InChIKeyJCCLANMEAGOERZ-SECBINFHSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine (CID 68594787) is (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine is N[C@@H]1CC(CF)(CF)Oc2cc(Br)ccc21.
What is the InChIKey of (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is JCCLANMEAGOERZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-7-1-2-8-9(15)4-11(5-13,6-14)16-10(8)3-7/h1-3,9H,4-6,15H2/t9-/m1/s1.
What are the key properties of (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 292.12 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68594787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).