(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine

C11H13ClFNO — CID 68597601

IUPAC(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)C[C@@H](N)c2ccc(F)c(Cl)c2O1
InChIInChI=1S/C11H13ClFNO/c1-11(2)5-8(14)6-3-4-7(13)9(12)10(6)15-11/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1
InChIKeyCGTPNUOWDUWKMW-MRVPVSSYSA-N
MW229.68 g/mol
LogP3.04
Rot. Bonds

About (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine

(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 68597601) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID68597601
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)C[C@@H](N)c2ccc(F)c(Cl)c2O1
InChIInChI=1S/C11H13ClFNO/c1-11(2)5-8(14)6-3-4-7(13)9(12)10(6)15-11/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1
InChIKeyCGTPNUOWDUWKMW-MRVPVSSYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 68597601) is (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine is CC1(C)C[C@@H](N)c2ccc(F)c(Cl)c2O1.
What is the InChIKey of (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is CGTPNUOWDUWKMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-11(2)5-8(14)6-3-4-7(13)9(12)10(6)15-11/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine?
(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 229.68 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68597601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).