(4,4-difluoro-1-methoxycyclohexyl)methanamine

C8H15F2NO — CID 121393454

IUPAC(4,4-difluoro-1-methoxycyclohexyl)methanamine
SMILESCOC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c1-12-7(6-11)2-4-8(9,10)5-3-7/h2-6,11H2,1H3
InChIKeyZPJXVHHIIQNWJD-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.54
Rot. Bonds2

About (4,4-difluoro-1-methoxycyclohexyl)methanamine

(4,4-difluoro-1-methoxycyclohexyl)methanamine (PubChem CID 121393454) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (4,4-difluoro-1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1-methoxycyclohexyl)methanamine
PubChem CID121393454
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(4,4-difluoro-1-methoxycyclohexyl)methanamine
SMILESCOC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c1-12-7(6-11)2-4-8(9,10)5-3-7/h2-6,11H2,1H3
InChIKeyZPJXVHHIIQNWJD-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.54
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-methoxycyclohexyl)methanamine?
The IUPAC name of (4,4-difluoro-1-methoxycyclohexyl)methanamine (CID 121393454) is (4,4-difluoro-1-methoxycyclohexyl)methanamine.
What is the SMILES notation for (4,4-difluoro-1-methoxycyclohexyl)methanamine?
The canonical SMILES for (4,4-difluoro-1-methoxycyclohexyl)methanamine is COC1(CN)CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoro-1-methoxycyclohexyl)methanamine?
The InChIKey is ZPJXVHHIIQNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-7(6-11)2-4-8(9,10)5-3-7/h2-6,11H2,1H3.
What are the key properties of (4,4-difluoro-1-methoxycyclohexyl)methanamine?
(4,4-difluoro-1-methoxycyclohexyl)methanamine has a molecular weight of 179.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 121393454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).