5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C10H20F3NO — CID 103147984

IUPAC5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(C)CC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyJLJGHHNIOSQMGR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds7

About 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103147984) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103147984
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(C)CC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyJLJGHHNIOSQMGR-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
1-(Difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
CID 170384072
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
4-Propoxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174261842
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103147984) is 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCC(C)CC(N)CCOCC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is JLJGHHNIOSQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103147984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).