3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine

C12H15F2NO — CID 116838573

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
SMILESNCCC(F)(F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15F2NO/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8H,1-2,5-7,15H2
InChIKeyMYGVDBQXOXEECM-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.45
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine (PubChem CID 116838573) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
PubChem CID116838573
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
SMILESNCCC(F)(F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15F2NO/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8H,1-2,5-7,15H2
InChIKeyMYGVDBQXOXEECM-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
CID 116841059
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
CID 98017830
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine (CID 116838573) is 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine is NCCC(F)(F)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine?
The InChIKey is MYGVDBQXOXEECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8H,1-2,5-7,15H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine?
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine has a molecular weight of 227.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 116838573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).