4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid

C10H16F5NO3 — CID 139529955

IUPAC4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCC(OCC(F)F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15F2NO.C2HF3O2/c9-8(10)5-12-7-3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6-8H,1-5,11H2;(H,6,7)
InChIKeyBDLXRWAUBLDKIX-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.17
Rot. Bonds3

About 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid

4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 139529955) has the molecular formula C10H16F5NO3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID139529955
Molecular FormulaC10H16F5NO3
Molecular Weight293.23 g/mol
Exact Mass293.11
IUPAC Name4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCC(OCC(F)F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15F2NO.C2HF3O2/c9-8(10)5-12-7-3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6-8H,1-5,11H2;(H,6,7)
InChIKeyBDLXRWAUBLDKIX-UHFFFAOYSA-N
XLogP2.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid (CID 139529955) is 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid is NC1CCC(OCC(F)F)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BDLXRWAUBLDKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2HF3O2/c9-8(10)5-12-7-3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6-8H,1-5,11H2;(H,6,7).
What are the key properties of 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid?
4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 293.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)cyclohexan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139529955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).