N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine

C11H11ClF2N2 — CID 115406062

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2
InChIKeyATJJRJNDCDQBEL-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115406062) has the molecular formula C11H11ClF2N2 and a molecular weight of 244.67 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115406062
Molecular FormulaC11H11ClF2N2
Molecular Weight244.67 g/mol
Exact Mass244.06
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2
InChIKeyATJJRJNDCDQBEL-UHFFFAOYSA-N
XLogP3.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
N-[(3-chloro-1H-indol-2-yl)methyl]pent-4-yn-1-amine
CID 114159971
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113463718
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107760
(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
CID 107862609
2-[(3-chloro-1H-indol-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334546
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106394904
(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935
2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
CID 106235822
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine (CID 115406062) is N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is ATJJRJNDCDQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2/c12-11-7-3-1-2-4-8(7)16-9(11)5-15-6-10(13)14/h1-4,10,15-16H,5-6H2.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 244.67 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115406062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).