1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

C15H27F2NO — CID 105156713

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2NO/c1-18-14(6-2-4-13-5-3-11-19-13)12-7-9-15(16,17)10-8-12/h12-14,18H,2-11H2,1H3
InChIKeyZHHJGEJLLGQLBU-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.75
Rot. Bonds6

About 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 105156713) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID105156713
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2NO/c1-18-14(6-2-4-13-5-3-11-19-13)12-7-9-15(16,17)10-8-12/h12-14,18H,2-11H2,1H3
InChIKeyZHHJGEJLLGQLBU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 105156713) is 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is ZHHJGEJLLGQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-18-14(6-2-4-13-5-3-11-19-13)12-7-9-15(16,17)10-8-12/h12-14,18H,2-11H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 275.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 105156713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).