N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C10H18F3NO — CID 167021574

IUPACN,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCNC1(C)CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-9(14-2)5-3-8(4-6-9)15-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyRRDAYODPSUXDAI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds3

About N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 167021574) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID167021574
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCNC1(C)CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-9(14-2)5-3-8(4-6-9)15-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyRRDAYODPSUXDAI-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Difluoromethyl)-4-methoxycyclohexan-1-amine
CID 104459298
4-(Methylamino)-4-(trifluoromethyl)cyclohexan-1-ol
CID 146476191
4-(Propan-2-ylamino)-4-(trifluoromethyl)cyclohexan-1-ol
CID 146476193
N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 163418992
4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
CID 167021565
4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine
CID 167021573
N,2-diethyl-4-(trifluoromethyl)oxan-4-amine
CID 66204753
2-ethyl-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 66205553
N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
CID 66205971
2-ethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66206200
N-methyl-2-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66206377
2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66277668

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 167021574) is N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CNC1(C)CCC(OCC(F)(F)F)CC1.
What is the InChIKey of N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is RRDAYODPSUXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(14-2)5-3-8(4-6-9)15-7-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 167021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).