2-[3-(difluoromethoxy)cyclohexyl]ethanamine

C9H17F2NO — CID 84720016

IUPAC2-[3-(difluoromethoxy)cyclohexyl]ethanamine
SMILESNCCC1CCCC(OC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h7-9H,1-6,12H2
InChIKeyCVUJYCPZBLLLQN-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(difluoromethoxy)cyclohexyl]ethanamine

2-[3-(difluoromethoxy)cyclohexyl]ethanamine (PubChem CID 84720016) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)cyclohexyl]ethanamine
PubChem CID84720016
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[3-(difluoromethoxy)cyclohexyl]ethanamine
SMILESNCCC1CCCC(OC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h7-9H,1-6,12H2
InChIKeyCVUJYCPZBLLLQN-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-[3-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
[4-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347145
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
[3-(1,1,2,2-Tetrafluoroethoxy)cyclohexyl]methanamine
CID 141062729
Formamide;4-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butan-1-amine
CID 145690318
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]ethanamine?
The IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]ethanamine (CID 84720016) is 2-[3-(difluoromethoxy)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxy)cyclohexyl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethoxy)cyclohexyl]ethanamine is NCCC1CCCC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)cyclohexyl]ethanamine?
The InChIKey is CVUJYCPZBLLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h7-9H,1-6,12H2.
What are the key properties of 2-[3-(difluoromethoxy)cyclohexyl]ethanamine?
2-[3-(difluoromethoxy)cyclohexyl]ethanamine has a molecular weight of 193.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)cyclohexyl]ethanamine is sourced from PubChem (CID 84720016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).