2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine

C9H8ClF4N — CID 115113261

IUPAC2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
SMILESCC(CN)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C9H8ClF4N/c1-3(2-15)4-6(11)8(13)5(10)9(14)7(4)12/h3H,2,15H2,1H3
InChIKeyLPRSJHSXBVDDCM-UHFFFAOYSA-N
MW241.62 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine

2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine (PubChem CID 115113261) has the molecular formula C9H8ClF4N and a molecular weight of 241.62 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
PubChem CID115113261
Molecular FormulaC9H8ClF4N
Molecular Weight241.62 g/mol
Exact Mass241.03
IUPAC Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
SMILESCC(CN)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C9H8ClF4N/c1-3(2-15)4-6(11)8(13)5(10)9(14)7(4)12/h3H,2,15H2,1H3
InChIKeyLPRSJHSXBVDDCM-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113262
1-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanamine
CID 117110993
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
3-chloro-2,4,5-trifluoro-6-propan-2-ylaniline
CID 156531072
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
CID 117288685
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine (CID 115113261) is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine is CC(CN)c1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine?
The InChIKey is LPRSJHSXBVDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4N/c1-3(2-15)4-6(11)8(13)5(10)9(14)7(4)12/h3H,2,15H2,1H3.
What are the key properties of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine?
2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine has a molecular weight of 241.62 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine is sourced from PubChem (CID 115113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).