7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine

C11H22F3NO — CID 103148163

IUPAC7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCC(C)CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)4-3-5-10(15)6-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyFYFXPKOZWWFQNH-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds8

About 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine

7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine (PubChem CID 103148163) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine.

Molecular Properties

Compound Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
PubChem CID103148163
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCC(C)CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)4-3-5-10(15)6-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyFYFXPKOZWWFQNH-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

3-Amino-4,4-difluoro-2-methyltridecan-5-ol
CID 11666146
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine (CID 103148163) is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine.
What is the SMILES notation for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The canonical SMILES for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine is CC(C)CCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The InChIKey is FYFXPKOZWWFQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)4-3-5-10(15)6-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine is sourced from PubChem (CID 103148163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).