1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine

C14H27F2NO — CID 103031686

IUPAC1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H27F2NO/c1-13(2,18-4)8-7-12(17-3)11-5-9-14(15,16)10-6-11/h11-12,17H,5-10H2,1-4H3
InChIKeyJEMLAIHJOUDTLI-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds6

About 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103031686) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103031686
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H27F2NO/c1-13(2,18-4)8-7-12(17-3)11-5-9-14(15,16)10-6-11/h11-12,17H,5-10H2,1-4H3
InChIKeyJEMLAIHJOUDTLI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
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)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103031686) is 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is JEMLAIHJOUDTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-13(2,18-4)8-7-12(17-3)11-5-9-14(15,16)10-6-11/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(4,4-difluorocyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 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)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103031686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).