4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine

C8H14F3NO — CID 71246268

IUPAC4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-6(12)3-5-7/h6H,2-5,12H2,1H3
InChIKeyZVYURORNSHPZAE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds1

About 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine

4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 71246268) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID71246268
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-6(12)3-5-7/h6H,2-5,12H2,1H3
InChIKeyZVYURORNSHPZAE-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-4-methylcyclohexan-1-amine
CID 112707206
4-Amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989723
(4-Amino-1-methylcyclohexyl) 2,2,2-trifluoroacetate
CID 70235576
Carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246267
4-Amino-1-(difluoromethyl)cyclohexan-1-ol
CID 80605816
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
(4-Amino-1-methylcyclohexyl) hypofluorite
CID 144085345
4-(2-Methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294893
4-(2-Methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294943
4-Amino-1-(1,1-difluoroethyl)cyclohexan-1-ol
CID 163294949
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine
CID 163295551

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine (CID 71246268) is 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine is COC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZVYURORNSHPZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-6(12)3-5-7/h6H,2-5,12H2,1H3.
What are the key properties of 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 71246268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).