1-(difluoromethoxy)-4-methylpentan-2-amine

C7H15F2NO — CID 84717209

IUPAC1-(difluoromethoxy)-4-methylpentan-2-amine
SMILESCC(C)CC(N)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)3-6(10)4-11-7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyKCJXFLPZIWACPS-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.60
Rot. Bonds5

About 1-(difluoromethoxy)-4-methylpentan-2-amine

1-(difluoromethoxy)-4-methylpentan-2-amine (PubChem CID 84717209) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylpentan-2-amine
PubChem CID84717209
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1-(difluoromethoxy)-4-methylpentan-2-amine
SMILESCC(C)CC(N)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)3-6(10)4-11-7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyKCJXFLPZIWACPS-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-isobutyl-2-methoxyethylamine
CID 13140128
1-(Difluoromethoxy)-3-methylbutan-2-amine
CID 84716517
(2S,4S)-2-amino-5,5,5-trifluoro-4-methylpentan-1-ol
CID 13675226
(2S)-4-fluoro-1-methoxy-4-methylpentan-2-amine
CID 59767788
(2S)-3-Methyl-1-(trifluoromethoxy)butan-2-amine hydrochloride
CID 139327187
(2S)-2-amino-1,5,5-trifluoro-4-methylpentan-1-ol
CID 142165625
(2-Amino-4-methylpentyl) hypofluorite
CID 144939849
(2S)-2-amino-3,3-difluoro-4-methylpentan-1-ol
CID 177117884
(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
CID 177282034
2-Amino-5,5,5-trifluoro-4-methylpentan-1-ol
CID 9898949
(2R,4S)-2-amino-5,5,5-trifluoro-4-methylpentan-1-ol
CID 13675224
4,4,4-Trifluoro-3-(4-methylpentoxy)butan-2-amine
CID 61647951

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylpentan-2-amine?
The IUPAC name of 1-(difluoromethoxy)-4-methylpentan-2-amine (CID 84717209) is 1-(difluoromethoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylpentan-2-amine?
The canonical SMILES for 1-(difluoromethoxy)-4-methylpentan-2-amine is CC(C)CC(N)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-methylpentan-2-amine?
The InChIKey is KCJXFLPZIWACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(2)3-6(10)4-11-7(8)9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-methylpentan-2-amine?
1-(difluoromethoxy)-4-methylpentan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 84717209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).