1-(difluoromethoxymethyl)cyclohexan-1-amine

C8H15F2NO — CID 84718101

IUPAC1-(difluoromethoxymethyl)cyclohexan-1-amine
SMILESNC1(COC(F)F)CCCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)12-6-8(11)4-2-1-3-5-8/h7H,1-6,11H2
InChIKeyZEKYLQZHYUTSCH-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.89
Rot. Bonds3

About 1-(difluoromethoxymethyl)cyclohexan-1-amine

1-(difluoromethoxymethyl)cyclohexan-1-amine (PubChem CID 84718101) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)cyclohexan-1-amine
PubChem CID84718101
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(difluoromethoxymethyl)cyclohexan-1-amine
SMILESNC1(COC(F)F)CCCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)12-6-8(11)4-2-1-3-5-8/h7H,1-6,11H2
InChIKeyZEKYLQZHYUTSCH-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methoxymethyl)cyclohexan-1-amine
CID 54594344
(1-Amino-4,4-difluorocyclohexyl)methanol
CID 84717017
1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62620489
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62620669
1-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 64565499
1-(2,2-Difluoroethoxymethyl)cyclopentan-1-amine
CID 64571818
1-(2,2,2-Trifluoroethoxymethyl)cyclohexan-1-amine
CID 64571858
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclohexan-1-amine
CID 64572073
1-(2,2,2-Trifluoroethoxymethyl)cyclopentan-1-amine
CID 64572665
1-(2,2-Difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine
CID 64574640
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclohexan-1-amine
CID 65804571

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(difluoromethoxymethyl)cyclohexan-1-amine (CID 84718101) is 1-(difluoromethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethoxymethyl)cyclohexan-1-amine is NC1(COC(F)F)CCCCC1.
What is the InChIKey of 1-(difluoromethoxymethyl)cyclohexan-1-amine?
The InChIKey is ZEKYLQZHYUTSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)12-6-8(11)4-2-1-3-5-8/h7H,1-6,11H2.
What are the key properties of 1-(difluoromethoxymethyl)cyclohexan-1-amine?
1-(difluoromethoxymethyl)cyclohexan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 84718101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).