8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine

C10H20F3NO — CID 116757393

IUPAC8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine
SMILESCCC(C)(OC)C(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeySJMSWNDWQXZQAR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds6

About 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine

8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine (PubChem CID 116757393) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine
PubChem CID116757393
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine
SMILESCCC(C)(OC)C(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeySJMSWNDWQXZQAR-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Difluoromethoxy)cycloheptyl]methanamine
CID 65051535
[1-(Difluoromethoxy)-4-ethylcyclohexyl]methanamine
CID 65052747
6,6,6-Trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79197424
4,4,4-Trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174573
4,4,4-Trifluoro-1-(2-methyloxan-2-yl)butan-1-amine
CID 80683805
1-Cycloheptyl-2-(difluoromethoxy)ethanamine
CID 84722398
2-Methoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 84733443
1-[4-Methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84736840
1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 103032005
1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103032115

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine (CID 116757393) is 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine is CCC(C)(OC)C(N)CCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine?
The InChIKey is SJMSWNDWQXZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine?
8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-amine is sourced from PubChem (CID 116757393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).