[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine

C10H19F2NO — CID 65052747

IUPAC[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-2-8-3-5-10(7-13,6-4-8)14-9(11)12/h8-9H,2-7,13H2,1H3
InChIKeyCYKAYUCTDJRIAV-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.52
Rot. Bonds4

About [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine

[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine (PubChem CID 65052747) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine
PubChem CID65052747
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-2-8-3-5-10(7-13,6-4-8)14-9(11)12/h8-9H,2-7,13H2,1H3
InChIKeyCYKAYUCTDJRIAV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine (CID 65052747) is [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(OC(F)F)CC1.
What is the InChIKey of [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine?
The InChIKey is CYKAYUCTDJRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-8-3-5-10(7-13,6-4-8)14-9(11)12/h8-9H,2-7,13H2,1H3.
What are the key properties of [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine?
[1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine has a molecular weight of 207.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65052747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).