N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine

C14H18F5NO — CID 116534105

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H18F5NO/c1-10(5-4-8-14(17,18)19)20-9-11-6-2-3-7-12(11)21-13(15)16/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3
InChIKeyHRNZOTXOGJLGOC-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.50
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 116534105) has the molecular formula C14H18F5NO and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
PubChem CID116534105
Molecular FormulaC14H18F5NO
Molecular Weight311.29 g/mol
Exact Mass311.13
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H18F5NO/c1-10(5-4-8-14(17,18)19)20-9-11-6-2-3-7-12(11)21-13(15)16/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3
InChIKeyHRNZOTXOGJLGOC-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 103387484
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112000000
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine (CID 116534105) is N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is HRNZOTXOGJLGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NO/c1-10(5-4-8-14(17,18)19)20-9-11-6-2-3-7-12(11)21-13(15)16/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 311.29 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116534105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).