(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide

C7H11F2NO — CID 167134960

IUPAC(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-4(2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyJJCOMINVQYCYJZ-RXMQYKEDSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds2

About (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 167134960) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID167134960
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-4(2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyJJCOMINVQYCYJZ-RXMQYKEDSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide (CID 167134960) is (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)[C@H]1CC1(F)F.
What is the InChIKey of (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is JJCOMINVQYCYJZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-4(2)10-6(11)5-3-7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 163.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 167134960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).