N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H15ClF2N2 — CID 83081941

IUPACN-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFc1cc(F)c(NC2CCN3CCCC23)c(Cl)c1
InChIInChI=1S/C13H15ClF2N2/c14-9-6-8(15)7-10(16)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyLDLMNDAAVFAWNT-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.27
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 83081941) has the molecular formula C13H15ClF2N2 and a molecular weight of 272.73 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID83081941
Molecular FormulaC13H15ClF2N2
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFc1cc(F)c(NC2CCN3CCCC23)c(Cl)c1
InChIInChI=1S/C13H15ClF2N2/c14-9-6-8(15)7-10(16)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyLDLMNDAAVFAWNT-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853708
trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
CID 102733945
N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853439
2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83081176
N-(3,5-difluoro-2-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115507852
N-(3,4-dichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853706
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201
N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103584698
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 61217293
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853733
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine
CID 62533189

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 83081941) is N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Fc1cc(F)c(NC2CCN3CCCC23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is LDLMNDAAVFAWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2/c14-9-6-8(15)7-10(16)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 272.73 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 83081941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).