[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine

C9H17F2NO — CID 122164072

IUPAC[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine
SMILESCOC1(CN)CCC(C(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-9(6-12)4-2-7(3-5-9)8(10)11/h7-8H,2-6,12H2,1H3
InChIKeyKJLQKZIXXQFMNO-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.79
Rot. Bonds3

About [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine

[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine (PubChem CID 122164072) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine
PubChem CID122164072
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine
SMILESCOC1(CN)CCC(C(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-9(6-12)4-2-7(3-5-9)8(10)11/h7-8H,2-6,12H2,1H3
InChIKeyKJLQKZIXXQFMNO-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine (CID 122164072) is [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine is COC1(CN)CCC(C(F)F)CC1.
What is the InChIKey of [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine?
The InChIKey is KJLQKZIXXQFMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-13-9(6-12)4-2-7(3-5-9)8(10)11/h7-8H,2-6,12H2,1H3.
What are the key properties of [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine?
[4-(difluoromethyl)-1-methoxycyclohexyl]methanamine has a molecular weight of 193.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1-methoxycyclohexyl]methanamine is sourced from PubChem (CID 122164072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).