6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride

C11H15ClFNO — CID 21257103

IUPAC6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCC1(C)CC(N)c2cc(F)ccc2O1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;/h3-5,9H,6,13H2,1-2H3;1H
InChIKeyGHYIDVTWFWGMSW-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.81
Rot. Bonds

About 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride

6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride (PubChem CID 21257103) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
PubChem CID21257103
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCC1(C)CC(N)c2cc(F)ccc2O1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;/h3-5,9H,6,13H2,1-2H3;1H
InChIKeyGHYIDVTWFWGMSW-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The IUPAC name of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride (CID 21257103) is 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The canonical SMILES for 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride is CC1(C)CC(N)c2cc(F)ccc2O1.Cl.
What is the InChIKey of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The InChIKey is GHYIDVTWFWGMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;/h3-5,9H,6,13H2,1-2H3;1H.
What are the key properties of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride is sourced from PubChem (CID 21257103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).