N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide

C10H16F2N2O2 — CID 75484149

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(F)(F)CC1)C(N)=O
InChIInChI=1S/C10H16F2N2O2/c1-6(8(13)15)14-9(16)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyBXYNXSFWSKXBGX-LURJTMIESA-N
MW234.25 g/mol
LogP0.80
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 75484149) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID75484149
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(F)(F)CC1)C(N)=O
InChIInChI=1S/C10H16F2N2O2/c1-6(8(13)15)14-9(16)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyBXYNXSFWSKXBGX-LURJTMIESA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
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(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
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Cambridge id 6909396
CID 800131

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide (CID 75484149) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(F)(F)CC1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is BXYNXSFWSKXBGX-LURJTMIESA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-6(8(13)15)14-9(16)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3,(H2,13,15)(H,14,16)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 75484149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).