1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine

C9H17F2NO — CID 84720013

IUPAC1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1OC(F)F
InChIInChI=1S/C9H17F2NO/c1-12-6-7-4-2-3-5-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyIUVITWBHMHXZDK-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine

1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine (PubChem CID 84720013) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
PubChem CID84720013
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1OC(F)F
InChIInChI=1S/C9H17F2NO/c1-12-6-7-4-2-3-5-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyIUVITWBHMHXZDK-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
rac-[(1R,2R)-2-methoxycyclohexyl]methanamine
CID 93044825
3-cyclohexyl-N-methyl-3-[4-(trifluoromethyl)cyclohexyl]oxypropan-1-amine
CID 44228828
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
(5-Fluoro-2-methoxycyclohexyl)methanamine
CID 156542195
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
4,4,4-Trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
CID 43753308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine (CID 84720013) is 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The InChIKey is IUVITWBHMHXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-6-7-4-2-3-5-8(7)13-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine has a molecular weight of 193.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 84720013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).