2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine

C11H22F3NO — CID 61491061

IUPAC2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCC(C)(C)C(N)CCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(15)6-4-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyXRRMHSVVGXHOPR-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds6

About 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine

2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 61491061) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID61491061
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCC(C)(C)C(N)CCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(15)6-4-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyXRRMHSVVGXHOPR-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
(5-amino-6,6-dimethylheptyl) carbamate
CID 90354385
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
CID 139607930
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 61491061) is 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine is CC(C)(C)C(N)CCCCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is XRRMHSVVGXHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)9(15)6-4-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine?
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 61491061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).