1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one

C15H28FNO — CID 58256846

IUPAC1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NC1(C(=O)C(C)(C)C)CCC(F)CC1
InChIInChI=1S/C15H28FNO/c1-13(2,3)12(18)15(17-14(4,5)6)9-7-11(16)8-10-15/h11,17H,7-10H2,1-6H3
InChIKeyJWAUVGBLGSSCNF-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.64
Rot. Bonds2

About 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one

1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one (PubChem CID 58256846) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one
PubChem CID58256846
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NC1(C(=O)C(C)(C)C)CCC(F)CC1
InChIInChI=1S/C15H28FNO/c1-13(2,3)12(18)15(17-14(4,5)6)9-7-11(16)8-10-15/h11,17H,7-10H2,1-6H3
InChIKeyJWAUVGBLGSSCNF-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(Tert-butylamino)-4-fluoro-4-methylcyclohexyl]-2,2-dimethylpropan-1-one
CID 58256915
1-[1-(Tert-butylamino)-4,4-difluorocyclohexyl]-2,2-dimethylpropan-1-one
CID 58256933
1-[1-(Tert-butylamino)-4-fluoro-4-methylcyclohexyl]propan-1-one
CID 68345378
1-[1-(Ethylamino)-4-fluorocyclohexyl]-2,2-dimethylbutan-1-one
CID 68345380
1-[1-(Ethylamino)-4,4-difluorocyclohexyl]propan-1-one
CID 68345381
1-[1-(Ethylamino)-4-fluoro-4-methylcyclohexyl]-2,2-dimethylpropan-1-one
CID 68392193
3,3,3-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]propanamide
CID 117815644
2,2,2-trifluoro-N-(1-propanoylcyclohexyl)acetamide
CID 117816050
N-(1-acetylcyclohexyl)-3,3,3-trifluoropropanamide
CID 117828958
3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
CID 130457162
2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide
CID 130457428
3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide
CID 130457774

Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one (CID 58256846) is 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one is CC(C)(C)NC1(C(=O)C(C)(C)C)CCC(F)CC1.
What is the InChIKey of 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one?
The InChIKey is JWAUVGBLGSSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-13(2,3)12(18)15(17-14(4,5)6)9-7-11(16)8-10-15/h11,17H,7-10H2,1-6H3.
What are the key properties of 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one?
1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one has a molecular weight of 257.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-4-fluorocyclohexyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58256846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).