1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine

C11H22F3NO — CID 103032113

IUPAC1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-5-8-15-9(11(12,13)14)6-7-10(2,3)16-4/h9,15H,5-8H2,1-4H3
InChIKeyHDLFBSXILMRXFZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine

1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103032113) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103032113
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-5-8-15-9(11(12,13)14)6-7-10(2,3)16-4/h9,15H,5-8H2,1-4H3
InChIKeyHDLFBSXILMRXFZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62529713
N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62530933
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62726228
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
CID 79197939
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79198505
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103032113) is 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is HDLFBSXILMRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-8-15-9(11(12,13)14)6-7-10(2,3)16-4/h9,15H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine?
1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103032113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).