(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine

C10H10F3N — CID 130663847

IUPAC(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1c(F)ccc(F)c1F
InChIInChI=1S/C10H10F3N/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h2,4-5,8H,1,3,14H2/t8-/m1/s1
InChIKeyBZLNVNNZDCQASX-MRVPVSSYSA-N
MW201.19 g/mol
LogP2.68
Rot. Bonds3

About (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine

(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine (PubChem CID 130663847) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine
PubChem CID130663847
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1c(F)ccc(F)c1F
InChIInChI=1S/C10H10F3N/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h2,4-5,8H,1,3,14H2/t8-/m1/s1
InChIKeyBZLNVNNZDCQASX-MRVPVSSYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,3-dichloro-6-fluorophenyl)but-3-en-1-amine
CID 130701468
(1R)-1-(3,6-dichloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171215629
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-3-methylphenol
CID 55269488
2-[(1R)-1-aminobut-3-enyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256884
2-[(1S)-1-aminobut-3-enyl]-3,4,5-trifluorophenol;hydrochloride
CID 171254368
1-(5-chloro-2-fluorophenyl)but-3-en-1-amine
CID 55270710
(1R)-1-(2,3,6-trifluorophenyl)pentane-1,5-diamine
CID 171205092
(1R)-1-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
3-[(1S)-1-aminobut-3-enyl]-6-fluoro-2-hydroxybenzonitrile
CID 131623917
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293036
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine?
The IUPAC name of (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine (CID 130663847) is (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine?
The canonical SMILES for (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine is C=CC[C@@H](N)c1c(F)ccc(F)c1F.
What is the InChIKey of (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine?
The InChIKey is BZLNVNNZDCQASX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-2-3-8(14)9-6(11)4-5-7(12)10(9)13/h2,4-5,8H,1,3,14H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine?
(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 130663847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).