(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane

C12H15BrF3N — CID 145056794

IUPAC(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane
SMILESC.CC/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N.CH4/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15;/h3-6H,2,16H2,1H3;1H4/b10-3-;
InChIKeyBWWIRIKDKDQOMU-HVHUWTQGSA-N
MW310.16 g/mol
LogP4.81
Rot. Bonds2

About (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane

(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane (PubChem CID 145056794) has the molecular formula C12H15BrF3N and a molecular weight of 310.16 g/mol. Its IUPAC name is (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane.

Molecular Properties

Compound Name(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane
PubChem CID145056794
Molecular FormulaC12H15BrF3N
Molecular Weight310.16 g/mol
Exact Mass309.03
IUPAC Name(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane
SMILESC.CC/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N.CH4/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15;/h3-6H,2,16H2,1H3;1H4/b10-3-;
InChIKeyBWWIRIKDKDQOMU-HVHUWTQGSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-3,5-bis(trifluoromethyl)aniline
CID 4305448
4-Bromo-3-(trifluoromethyl)benzylamine
CID 45933703
4-Bromo-3-methylbenzene-1-carbothioamide
CID 21833829
(4-Bromo-3-methylphenyl)methanamine hydrochloride
CID 23500408
(2-Bromo-5-(trifluoromethyl)phenyl)methanamine
CID 44887024
1-(4-Bromo-3-methylphenyl)cyclopropan-1-amine
CID 82287771
1-(4-Bromo-3-(trifluoromethyl)phenyl)methanamine hydrochloride
CID 118851021
(1R)-1-(4-bromo-3-methylphenyl)ethan-1-amine hydrochloride
CID 137832509
1-(4-Bromo-2-fluoro-3-methylphenyl)methanamine hydrochloride
CID 146049841
2-[4-Bromo-3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride
CID 155971043
2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 135039667
(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 139263445

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane?
The IUPAC name of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane (CID 145056794) is (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane.
What is the SMILES notation for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane?
The canonical SMILES for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane is C.CC/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane?
The InChIKey is BWWIRIKDKDQOMU-HVHUWTQGSA-N. The full InChI is InChI=1S/C11H11BrF3N.CH4/c1-2-3-10(16)7-4-5-9(12)8(6-7)11(13,14)15;/h3-6H,2,16H2,1H3;1H4/b10-3-;.
What are the key properties of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane?
(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane has a molecular weight of 310.16 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]but-1-en-1-amine;methane is sourced from PubChem (CID 145056794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).