(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide

C10H18FNO — CID 165048189

IUPAC(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H]1CC1(C)F
InChIInChI=1S/C10H18FNO/c1-6(2)7(3)12-9(13)8-5-10(8,4)11/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+,10?/m1/s1
InChIKeyGXZNVVXASMICGO-HHCGNCNQSA-N
MW187.26 g/mol
LogP1.90
Rot. Bonds3

About (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide

(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 165048189) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID165048189
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H]1CC1(C)F
InChIInChI=1S/C10H18FNO/c1-6(2)7(3)12-9(13)8-5-10(8,4)11/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+,10?/m1/s1
InChIKeyGXZNVVXASMICGO-HHCGNCNQSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide (CID 165048189) is (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide is CC(C)[C@@H](C)NC(=O)[C@@H]1CC1(C)F.
What is the InChIKey of (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is GXZNVVXASMICGO-HHCGNCNQSA-N. The full InChI is InChI=1S/C10H18FNO/c1-6(2)7(3)12-9(13)8-5-10(8,4)11/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+,10?/m1/s1.
What are the key properties of (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
(1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 187.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).