(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine

C14H10BrF4N — CID 147397745

IUPAC(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
SMILESN[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H10BrF4N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2/t13-/m1/s1
InChIKeyDOCXVZROFJYYPE-CYBMUJFWSA-N
MW348.14 g/mol
LogP4.35
Rot. Bonds2

About (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine

(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine (PubChem CID 147397745) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
PubChem CID147397745
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
SMILESN[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H10BrF4N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2/t13-/m1/s1
InChIKeyDOCXVZROFJYYPE-CYBMUJFWSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)propan-2-amine
CID 23009116
1-(4-Bromophenyl)cyclopropanamine
CID 18710195
trans-(1S,2R)-2-(4-bromophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732672
(R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 44561008
[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]azanium;chloride
CID 135056688
1-(4-Bromophenyl)-2,2-difluoroethan-1-amine hcl
CID 135057267
1-(4-Bromophenyl)-2,2,2-trifluoroethanamine
CID 12164740
(4-Bromophenyl)(phenyl)methanamine hydrochloride
CID 21528791
2-(4-Bromophenyl)propan-2-amine hydrochloride
CID 42956122
1-(4-Bromophenyl)cyclopentan-1-amine hydrochloride
CID 42959175
1-(4-Bromophenyl)cyclobutan-1-amine
CID 43146557
1-(4-Bromophenyl)cyclobutan-1-amine hydrochloride
CID 45480509

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine (CID 147397745) is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine is N[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine?
The InChIKey is DOCXVZROFJYYPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2/t13-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine?
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine has a molecular weight of 348.14 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 147397745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).