6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine

C11H20F3NO — CID 103559718

IUPAC6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
SMILESCOC1(CC(N)CCCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-16-10(5-3-6-10)8-9(15)4-2-7-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyKGURHCSICGHWOH-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds6

About 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine

6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine (PubChem CID 103559718) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
PubChem CID103559718
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
SMILESCOC1(CC(N)CCCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-16-10(5-3-6-10)8-9(15)4-2-7-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyKGURHCSICGHWOH-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350744
3-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351399
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-N,2-dimethyloctan-4-amine
CID 103028745
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
1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-amine
CID 103032393
1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148088
7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
CID 103148163
6-Methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148221

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine (CID 103559718) is 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine is COC1(CC(N)CCCC(F)(F)F)CCC1.
What is the InChIKey of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine?
The InChIKey is KGURHCSICGHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-16-10(5-3-6-10)8-9(15)4-2-7-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine?
6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine is sourced from PubChem (CID 103559718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).