2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H14ClF2NO — CID 114868444

IUPAC2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)cc2F)Oc2cc(F)ccc21
InChIInChI=1S/C16H14ClF2NO/c1-20-14-8-16(11-4-2-9(17)6-13(11)19)21-15-7-10(18)3-5-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeySSDDQNLCIIWLQR-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.40
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114868444) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114868444
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)cc2F)Oc2cc(F)ccc21
InChIInChI=1S/C16H14ClF2NO/c1-20-14-8-16(11-4-2-9(17)6-13(11)19)21-15-7-10(18)3-5-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeySSDDQNLCIIWLQR-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713701
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114868444) is 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(Cl)cc2F)Oc2cc(F)ccc21.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SSDDQNLCIIWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-20-14-8-16(11-4-2-9(17)6-13(11)19)21-15-7-10(18)3-5-12(14)15/h2-7,14,16,20H,8H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 309.74 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114868444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).