1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine

C13H15ClF3N — CID 114225791

IUPAC1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
SMILESNC(CC1CCC(F)(F)C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClF3N/c14-10-2-1-9(6-11(10)15)12(18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12H,3-5,7,18H2
InChIKeyPZUNRWOIPLJNPX-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine

1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine (PubChem CID 114225791) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
PubChem CID114225791
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
SMILESNC(CC1CCC(F)(F)C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClF3N/c14-10-2-1-9(6-11(10)15)12(18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12H,3-5,7,18H2
InChIKeyPZUNRWOIPLJNPX-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(1S)-1-(4-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272750
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
methyl 2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-3,3-difluorocyclopentyl]propanoate
CID 67189628
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine (CID 114225791) is 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine is NC(CC1CCC(F)(F)C1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine?
The InChIKey is PZUNRWOIPLJNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-10-2-1-9(6-11(10)15)12(18)5-8-3-4-13(16,17)7-8/h1-2,6,8,12H,3-5,7,18H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine has a molecular weight of 277.72 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine is sourced from PubChem (CID 114225791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).