N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine

C11H12BrF4N — CID 82963086

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrF4N/c1-7(17-5-4-11(14,15)16)9-3-2-8(12)6-10(9)13/h2-3,6-7,17H,4-5H2,1H3
InChIKeyBYXYVRINSWPZDT-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 82963086) has the molecular formula C11H12BrF4N and a molecular weight of 314.12 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID82963086
Molecular FormulaC11H12BrF4N
Molecular Weight314.12 g/mol
Exact Mass313.01
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrF4N/c1-7(17-5-4-11(14,15)16)9-3-2-8(12)6-10(9)13/h2-3,6-7,17H,4-5H2,1H3
InChIKeyBYXYVRINSWPZDT-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
(3R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 99577329
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102613420

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 82963086) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is BYXYVRINSWPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF4N/c1-7(17-5-4-11(14,15)16)9-3-2-8(12)6-10(9)13/h2-3,6-7,17H,4-5H2,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 314.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82963086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).