1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine

C14H11ClF3N — CID 64714150

IUPAC1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF3N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2
InChIKeyZNIJCSXCSRURSE-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.00
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine

1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine (PubChem CID 64714150) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
PubChem CID64714150
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF3N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2
InChIKeyZNIJCSXCSRURSE-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
1-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81263225
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine (CID 64714150) is 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine is NC(Cc1cc(F)ccc1F)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is ZNIJCSXCSRURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13H,7,19H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine?
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 285.70 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 64714150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).