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

C9H10F3N — CID 55253455

IUPAC1-(2,3,6-trifluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)ccc(F)c1F
InChIInChI=1S/C9H10F3N/c1-5(13)4-6-7(10)2-3-8(11)9(6)12/h2-3,5H,4,13H2,1H3
InChIKeyHXAZATAMTIYMRN-UHFFFAOYSA-N
MW189.18 g/mol
LogP1.99
Rot. Bonds2

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

1-(2,3,6-trifluorophenyl)propan-2-amine (PubChem CID 55253455) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-(2,3,6-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3,6-trifluorophenyl)propan-2-amine
PubChem CID55253455
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-(2,3,6-trifluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)ccc(F)c1F
InChIInChI=1S/C9H10F3N/c1-5(13)4-6-7(10)2-3-8(11)9(6)12/h2-3,5H,4,13H2,1H3
InChIKeyHXAZATAMTIYMRN-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
4-(2,3,4-trifluorophenyl)pentan-2-amine
CID 64721181
2-amino-3-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359427
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
CID 117300028
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,6-trifluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,3,6-trifluorophenyl)propan-2-amine (CID 55253455) is 1-(2,3,6-trifluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3,6-trifluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3,6-trifluorophenyl)propan-2-amine is CC(N)Cc1c(F)ccc(F)c1F.
What is the InChIKey of 1-(2,3,6-trifluorophenyl)propan-2-amine?
The InChIKey is HXAZATAMTIYMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5(13)4-6-7(10)2-3-8(11)9(6)12/h2-3,5H,4,13H2,1H3.
What are the key properties of 1-(2,3,6-trifluorophenyl)propan-2-amine?
1-(2,3,6-trifluorophenyl)propan-2-amine has a molecular weight of 189.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,6-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 55253455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).