4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C10H18F2N2O — CID 164659290

IUPAC4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-9(8(13)15)3-5-10(11,12)6-4-9/h7,14H,3-6H2,1-2H3,(H2,13,15)
InChIKeyJNUFGGPIGXYTDP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.42
Rot. Bonds3

About 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide

4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 164659290) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID164659290
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-9(8(13)15)3-5-10(11,12)6-4-9/h7,14H,3-6H2,1-2H3,(H2,13,15)
InChIKeyJNUFGGPIGXYTDP-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.42
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-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 164659290) is 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is JNUFGGPIGXYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-7(2)14-9(8(13)15)3-5-10(11,12)6-4-9/h7,14H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 164659290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).