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

C9H9ClF3N — CID 117320924

IUPAC1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H9ClF3N/c1-4(14)2-5-6(11)3-7(12)8(10)9(5)13/h3-4H,2,14H2,1H3
InChIKeyALBAPCXAPZTTJY-UHFFFAOYSA-N
MW223.63 g/mol
LogP2.65
Rot. Bonds2

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

1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine (PubChem CID 117320924) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
PubChem CID117320924
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H9ClF3N/c1-4(14)2-5-6(11)3-7(12)8(10)9(5)13/h3-4H,2,14H2,1H3
InChIKeyALBAPCXAPZTTJY-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 52.65
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

1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117339610
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
CID 117300028
3-chloro-2,4,6-trifluoroaniline
CID 71758632
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine (CID 117320924) is 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine is CC(N)Cc1c(F)cc(F)c(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine?
The InChIKey is ALBAPCXAPZTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-4(14)2-5-6(11)3-7(12)8(10)9(5)13/h3-4H,2,14H2,1H3.
What are the key properties of 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine?
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine has a molecular weight of 223.63 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 117320924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).