4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine

C9H16F3NO — CID 84734535

IUPAC4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine
SMILESCOC(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-2-4-7(13)5-3-6/h6-8H,2-5,13H2,1H3
InChIKeyOKUQAUSIXCCVCN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds2

About 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine

4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine (PubChem CID 84734535) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine
PubChem CID84734535
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine
SMILESCOC(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-2-4-7(13)5-3-6/h6-8H,2-5,13H2,1H3
InChIKeyOKUQAUSIXCCVCN-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methoxymethyl)cyclohexan-1-amine
CID 55284813
cis-4-(1-Hydroxy-2,2,2-trifluoroethyl)cyclohexylamine
CID 21252675
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
3-(4-Aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 54069912
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-(2,3-Difluoro-4-methoxycyclohexyl)cyclohexan-1-amine
CID 68198507
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
CID 123911581
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
(1R)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 129247390
(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 129247391
1-(4-Aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride
CID 129247507

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine (CID 84734535) is 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine is COC(C1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine?
The InChIKey is OKUQAUSIXCCVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-2-4-7(13)5-3-6/h6-8H,2-5,13H2,1H3.
What are the key properties of 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine?
4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 84734535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).