cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

C14H24FNO2 — CID 58363504

IUPACcis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1F)C(C)(C)C
InChIInChI=1S/C14H24FNO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)8-7-9(8)15/h8-10H,7H2,1-6H3,(H,16,18)/t8-,9+,10-/m1/s1
InChIKeyOVYSDNVPTHQYFA-KXUCPTDWSA-N
MW257.35 g/mol
LogP2.49
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (PubChem CID 58363504) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
PubChem CID58363504
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Namecis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1F)C(C)(C)C
InChIInChI=1S/C14H24FNO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)8-7-9(8)15/h8-10H,7H2,1-6H3,(H,16,18)/t8-,9+,10-/m1/s1
InChIKeyOVYSDNVPTHQYFA-KXUCPTDWSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (CID 58363504) is cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is CC(C)(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1F)C(C)(C)C.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is OVYSDNVPTHQYFA-KXUCPTDWSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)8-7-9(8)15/h8-10H,7H2,1-6H3,(H,16,18)/t8-,9+,10-/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58363504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).