N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine

C15H20F5N — CID 116534583

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H20F5N/c1-10(5-4-8-15(18,19)20)21-11(2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,21H,4-5,8-9H2,1-2H3
InChIKeyROBQRXFMRYSZEU-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.61
Rot. Bonds7

About N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine

N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine (PubChem CID 116534583) has the molecular formula C15H20F5N and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
PubChem CID116534583
Molecular FormulaC15H20F5N
Molecular Weight309.32 g/mol
Exact Mass309.15
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H20F5N/c1-10(5-4-8-15(18,19)20)21-11(2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,21H,4-5,8-9H2,1-2H3
InChIKeyROBQRXFMRYSZEU-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116535087
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine (CID 116534583) is N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is ROBQRXFMRYSZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5N/c1-10(5-4-8-15(18,19)20)21-11(2)9-12-13(16)6-3-7-14(12)17/h3,6-7,10-11,21H,4-5,8-9H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine?
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 309.32 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116534583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).