8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C12H15ClFNO — CID 60970604

IUPAC8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2c(Cl)cc(F)cc21
InChIInChI=1S/C12H15ClFNO/c1-7(2)15-11-3-4-16-12-9(11)5-8(14)6-10(12)13/h5-7,11,15H,3-4H2,1-2H3
InChIKeyVYWVUGKNUSFPIH-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.30
Rot. Bonds2

About 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60970604) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID60970604
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2c(Cl)cc(F)cc21
InChIInChI=1S/C12H15ClFNO/c1-7(2)15-11-3-4-16-12-9(11)5-8(14)6-10(12)13/h5-7,11,15H,3-4H2,1-2H3
InChIKeyVYWVUGKNUSFPIH-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 60970604) is 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)NC1CCOc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VYWVUGKNUSFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7(2)15-11-3-4-16-12-9(11)5-8(14)6-10(12)13/h5-7,11,15H,3-4H2,1-2H3.
What are the key properties of 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 243.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).