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

C8H16ClF2NO — CID 121393453

IUPAC(4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1(CN)CCC(F)(F)CC1.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-12-7(6-11)2-4-8(9,10)5-3-7;/h2-6,11H2,1H3;1H
InChIKeyURUCMVKMHRRQIL-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.96
Rot. Bonds2

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

(4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride (PubChem CID 121393453) has the molecular formula C8H16ClF2NO and a molecular weight of 215.67 g/mol. Its IUPAC name is (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride
PubChem CID121393453
Molecular FormulaC8H16ClF2NO
Molecular Weight215.67 g/mol
Exact Mass215.09
IUPAC Name(4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride
SMILESCOC1(CN)CCC(F)(F)CC1.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-12-7(6-11)2-4-8(9,10)5-3-7;/h2-6,11H2,1H3;1H
InChIKeyURUCMVKMHRRQIL-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.96
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;hydrochloride?
The IUPAC name of (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride (CID 121393453) is (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride is COC1(CN)CCC(F)(F)CC1.Cl.
What is the InChIKey of (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride?
The InChIKey is URUCMVKMHRRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.ClH/c1-12-7(6-11)2-4-8(9,10)5-3-7;/h2-6,11H2,1H3;1H.
What are the key properties of (4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride?
(4,4-difluoro-1-methoxycyclohexyl)methanamine;hydrochloride has a molecular weight of 215.67 g/mol, XLogP of 1.96, 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;hydrochloride is sourced from PubChem (CID 121393453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).