1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine

C9H17F2NO — CID 64574422

IUPAC1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-13-7-9(12)4-2-1-3-5-9/h8H,1-7,12H2
InChIKeyUDMNXUIKDMVLFQ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds4

About 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine

1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine (PubChem CID 64574422) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
PubChem CID64574422
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-13-7-9(12)4-2-1-3-5-9/h8H,1-7,12H2
InChIKeyUDMNXUIKDMVLFQ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine (CID 64574422) is 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine is NC1(COCC(F)F)CCCCC1.
What is the InChIKey of 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine?
The InChIKey is UDMNXUIKDMVLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-8(11)6-13-7-9(12)4-2-1-3-5-9/h8H,1-7,12H2.
What are the key properties of 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine?
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64574422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).