4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol

C9H17F2NO — CID 134570750

IUPAC4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNC(C)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-7(12-2)8(13)3-5-9(10,11)6-4-8/h7,12-13H,3-6H2,1-2H3
InChIKeyGITJSZPVRZHKFY-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.53
Rot. Bonds2

About 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol

4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol (PubChem CID 134570750) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
PubChem CID134570750
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNC(C)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-7(12-2)8(13)3-5-9(10,11)6-4-8/h7,12-13H,3-6H2,1-2H3
InChIKeyGITJSZPVRZHKFY-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol (CID 134570750) is 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol is CNC(C)C1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol?
The InChIKey is GITJSZPVRZHKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(12-2)8(13)3-5-9(10,11)6-4-8/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol?
4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 134570750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).