(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C14H15BrF5N — CID 106944937

IUPAC(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15BrF5N/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13H,1-4,21H2
InChIKeyQUJZTDNIRXGOPT-UHFFFAOYSA-N
MW372.18 g/mol
LogP5.10
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106944937) has the molecular formula C14H15BrF5N and a molecular weight of 372.18 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106944937
Molecular FormulaC14H15BrF5N
Molecular Weight372.18 g/mol
Exact Mass371.03
IUPAC Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15BrF5N/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13H,1-4,21H2
InChIKeyQUJZTDNIRXGOPT-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.18
LogP ≤ 55.10
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

(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(3-bromo-2,6-difluorophenyl)-(thiolan-3-yl)methanamine
CID 106944590
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106942637
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 106944937) is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(c1c(F)ccc(Br)c1F)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QUJZTDNIRXGOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF5N/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h5-8,13H,1-4,21H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 372.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106944937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).