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

C9H8F3N — CID 83412567

IUPAC1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C9H8F3N/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyAUGJCZKFFROJPP-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.05
Rot. Bonds1

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

1-(2,3,6-trifluorophenyl)cyclopropan-1-amine (PubChem CID 83412567) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
PubChem CID83412567
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C9H8F3N/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyAUGJCZKFFROJPP-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.05
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-Phenylcyclohexylamine
CID 31862
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118483877
1-Phenylcyclopropylamine
CID 194548
(1S,2R)-1-methyl-2-phenylcyclopropan-1-aminehydrochloride
CID 118712956
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-Phenylcyclopentylamine
CID 167651
1-Phenyl-cyclopropylamine
CID 194549
1-(4-Fluorophenyl)ethylamine
CID 123063

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine (CID 83412567) is 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine is NC1(c2c(F)ccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine?
The InChIKey is AUGJCZKFFROJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2.
What are the key properties of 1-(2,3,6-trifluorophenyl)cyclopropan-1-amine?
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine has a molecular weight of 187.16 g/mol, XLogP of 2.05, 1 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)cyclopropan-1-amine is sourced from PubChem (CID 83412567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).