4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine

C9H16F3NO — CID 116713962

IUPAC4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine
SMILESCOC1(C(N)CCC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NO/c1-14-8(4-2-5-8)7(13)3-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOYYGVJCMEPWRRL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine

4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine (PubChem CID 116713962) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine
PubChem CID116713962
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine
SMILESCOC1(C(N)CCC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NO/c1-14-8(4-2-5-8)7(13)3-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOYYGVJCMEPWRRL-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-Trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79197424
5,5,5-Trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine
CID 103559453
6,6,6-Trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
CID 103559718
4,4,4-Trifluoro-1-(1-methoxycyclopentyl)butan-1-amine
CID 104610626
5,5,5-Trifluoro-1-(1-methoxycyclopentyl)pentan-1-amine
CID 104610677
[4,4,4-Trifluoro-1-(1-methoxycyclobutyl)butyl]hydrazine
CID 105270191
1-(1-Ethoxycyclopentyl)-5,5,5-trifluoropentan-1-amine
CID 113561651
5,5,5-Trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine
CID 113561747
5,5,5-Trifluoro-1-(1-methoxycycloheptyl)pentan-1-amine
CID 113562316
2-(3,3-Difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
1-(3,3-Difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine
CID 114224951
7,7,7-Trifluoro-2-methoxy-2-methylheptan-3-amine
CID 115517309

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine (CID 116713962) is 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine is COC1(C(N)CCC(F)(F)F)CCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine?
The InChIKey is OYYGVJCMEPWRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-8(4-2-5-8)7(13)3-6-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine?
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-amine is sourced from PubChem (CID 116713962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).