(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide

C10H15F2NO — CID 167135258

IUPAC(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1[C@H]2CC(F)(F)C[C@@H]12
InChIInChI=1S/C10H15F2NO/c1-5(2)13-9(14)8-6-3-10(11,12)4-7(6)8/h5-8H,3-4H2,1-2H3,(H,13,14)/t6-,7+,8?
InChIKeyCYAWROFKFKOLBW-DHBOJHSNSA-N
MW203.23 g/mol
LogP1.80
Rot. Bonds2

About (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167135258) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167135258
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1[C@H]2CC(F)(F)C[C@@H]12
InChIInChI=1S/C10H15F2NO/c1-5(2)13-9(14)8-6-3-10(11,12)4-7(6)8/h5-8H,3-4H2,1-2H3,(H,13,14)/t6-,7+,8?
InChIKeyCYAWROFKFKOLBW-DHBOJHSNSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide (CID 167135258) is (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide is CC(C)NC(=O)C1[C@H]2CC(F)(F)C[C@@H]12.
What is the InChIKey of (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CYAWROFKFKOLBW-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-5(2)13-9(14)8-6-3-10(11,12)4-7(6)8/h5-8H,3-4H2,1-2H3,(H,13,14)/t6-,7+,8?.
What are the key properties of (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 203.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167135258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).