1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride

C9H18ClF2N — CID 154853012

IUPAC1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCC(C(F)F)CC1.Cl
InChIInChI=1S/C9H17F2N.ClH/c1-12-6-7-2-4-8(5-3-7)9(10)11;/h7-9,12H,2-6H2,1H3;1H
InChIKeyFOXFIAMTIXTUGK-UHFFFAOYSA-N
MW213.70 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride

1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride (PubChem CID 154853012) has the molecular formula C9H18ClF2N and a molecular weight of 213.70 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride
PubChem CID154853012
Molecular FormulaC9H18ClF2N
Molecular Weight213.70 g/mol
Exact Mass213.11
IUPAC Name1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCC(C(F)F)CC1.Cl
InChIInChI=1S/C9H17F2N.ClH/c1-12-6-7-2-4-8(5-3-7)9(10)11;/h7-9,12H,2-6H2,1H3;1H
InChIKeyFOXFIAMTIXTUGK-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride (CID 154853012) is 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride is CNCC1CCC(C(F)F)CC1.Cl.
What is the InChIKey of 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The InChIKey is FOXFIAMTIXTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.ClH/c1-12-6-7-2-4-8(5-3-7)9(10)11;/h7-9,12H,2-6H2,1H3;1H.
What are the key properties of 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride has a molecular weight of 213.70 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 154853012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).