[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine

C10H19F2NO — CID 91658645

IUPAC[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine
SMILESCOCCC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9/h2-8,13H2,1H3
InChIKeyAFRBAUMDNLFPKW-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.18
Rot. Bonds4

About [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine

[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine (PubChem CID 91658645) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine
PubChem CID91658645
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine
SMILESCOCCC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9/h2-8,13H2,1H3
InChIKeyAFRBAUMDNLFPKW-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine (CID 91658645) is [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine is COCCC1(CN)CCC(F)(F)CC1.
What is the InChIKey of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine?
The InChIKey is AFRBAUMDNLFPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9/h2-8,13H2,1H3.
What are the key properties of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine?
[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine has a molecular weight of 207.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine is sourced from PubChem (CID 91658645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).