N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine

C11H12F5N — CID 55176100

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C11H12F5N/c1-7(17-5-4-11(14,15)16)9-6-8(12)2-3-10(9)13/h2-3,6-7,17H,4-5H2,1H3
InChIKeyUGRKWRCWFJRSMJ-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 55176100) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID55176100
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C11H12F5N/c1-7(17-5-4-11(14,15)16)9-6-8(12)2-3-10(9)13/h2-3,6-7,17H,4-5H2,1H3
InChIKeyUGRKWRCWFJRSMJ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[1-(2,5-difluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720905
N-[1-(2,5-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115900168

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 55176100) is N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is UGRKWRCWFJRSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-7(17-5-4-11(14,15)16)9-6-8(12)2-3-10(9)13/h2-3,6-7,17H,4-5H2,1H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 253.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 55176100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).