1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride

C8H16ClF2N — CID 146049846

IUPAC1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-11-6-7-2-4-8(9,10)5-3-7;/h7,11H,2-6H2,1H3;1H
InChIKeyHPXDHLXHUQSNTB-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.45
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride

1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride (PubChem CID 146049846) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
PubChem CID146049846
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-11-6-7-2-4-8(9,10)5-3-7;/h7,11H,2-6H2,1H3;1H
InChIKeyHPXDHLXHUQSNTB-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride (CID 146049846) is 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride is CNCC1CCC(F)(F)CC1.Cl.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride?
The InChIKey is HPXDHLXHUQSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c1-11-6-7-2-4-8(9,10)5-3-7;/h7,11H,2-6H2,1H3;1H.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride?
1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 146049846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).