1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide

C12H18F2N2O2 — CID 106173572

IUPAC1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCCCCC1
InChIInChI=1S/C12H18F2N2O2/c13-12(14,9-17)8-16-10(18)11(7-15)5-3-1-2-4-6-11/h17H,1-6,8-9H2,(H,16,18)
InChIKeyJRFRSUIBFIWYLW-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.59
Rot. Bonds4

About 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide

1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide (PubChem CID 106173572) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide
PubChem CID106173572
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCCCCC1
InChIInChI=1S/C12H18F2N2O2/c13-12(14,9-17)8-16-10(18)11(7-15)5-3-1-2-4-6-11/h17H,1-6,8-9H2,(H,16,18)
InChIKeyJRFRSUIBFIWYLW-UHFFFAOYSA-N
XLogP1.59
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 61830557
1-cyano-N-(3,3,3-trifluoropropyl)cycloheptane-1-carboxamide
CID 63226810
1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptane-1-carboxamide
CID 63828134
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide
CID 104857287
2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857532
N-(2,2-difluoro-3-hydroxypropyl)cycloheptanecarboxamide
CID 104858027
1-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
CID 105646480
1-cyano-N-[2-(2,2-difluoroethoxy)ethyl]cycloheptane-1-carboxamide
CID 105912062
2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide
CID 106173576
1-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide
CID 106176678
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176924
1-cyano-N-(2,2,3,3-tetrafluoropropyl)cycloheptane-1-carboxamide
CID 106292596

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide (CID 106173572) is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide is N#CC1(C(=O)NCC(F)(F)CO)CCCCCC1.
What is the InChIKey of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide?
The InChIKey is JRFRSUIBFIWYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c13-12(14,9-17)8-16-10(18)11(7-15)5-3-1-2-4-6-11/h17H,1-6,8-9H2,(H,16,18).
What are the key properties of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide?
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 106173572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).