[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine

C11H21F2NO — CID 65052279

IUPAC[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8(2)9-3-5-11(7-14,6-4-9)15-10(12)13/h8-10H,3-7,14H2,1-2H3
InChIKeyZZMZKQXYZPWIKM-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.77
Rot. Bonds4

About [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine

[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65052279) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65052279
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8(2)9-3-5-11(7-14,6-4-9)15-10(12)13/h8-10H,3-7,14H2,1-2H3
InChIKeyZZMZKQXYZPWIKM-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Difluoromethyl)-1-methoxycyclohexyl]methanamine
CID 122164072
C-(4,4-Difluoro-1-methoxy-cyclohexyl)-methylamine hydrochloride
CID 121393453
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 55036822
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62108898
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62108899
[3-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110277
1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 62110922
[4-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111087
[4-Ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111252
[4-Propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111253
[4-Tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111416

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine (CID 65052279) is [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OC(F)F)CC1.
What is the InChIKey of [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is ZZMZKQXYZPWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)9-3-5-11(7-14,6-4-9)15-10(12)13/h8-10H,3-7,14H2,1-2H3.
What are the key properties of [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine?
[1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).