N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine

C13H16F5N — CID 116534688

IUPACN-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H16F5N/c1-9(3-2-6-13(16,17)18)19-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,19H,2-3,6,8H2,1H3
InChIKeyAUOXFDZUGMWSCY-UHFFFAOYSA-N
MW281.27 g/mol
LogP4.18
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine

N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 116534688) has the molecular formula C13H16F5N and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
PubChem CID116534688
Molecular FormulaC13H16F5N
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H16F5N/c1-9(3-2-6-13(16,17)18)19-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,19H,2-3,6,8H2,1H3
InChIKeyAUOXFDZUGMWSCY-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
N-[(3,4-difluorophenyl)methyl]hex-5-en-2-amine
CID 104581930
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pentan-2-amine
CID 103041364
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
N-[(4-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103779657

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine (CID 116534688) is N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is AUOXFDZUGMWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N/c1-9(3-2-6-13(16,17)18)19-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,19H,2-3,6,8H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine?
N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 281.27 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116534688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).