4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide

C14H21F2NO — CID 142516545

IUPAC4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2NO/c15-14(16)6-2-10(3-7-14)12(18)17-11-8-13(9-11)4-1-5-13/h10-11H,1-9H2,(H,17,18)
InChIKeyIMPAMLPYZWKLNA-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds2

About 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide

4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide (PubChem CID 142516545) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
PubChem CID142516545
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2NO/c15-14(16)6-2-10(3-7-14)12(18)17-11-8-13(9-11)4-1-5-13/h10-11H,1-9H2,(H,17,18)
InChIKeyIMPAMLPYZWKLNA-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentanecarboxamide
CID 14697374
N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide (CID 142516545) is 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide is O=C(NC1CC2(CCC2)C1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide?
The InChIKey is IMPAMLPYZWKLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c15-14(16)6-2-10(3-7-14)12(18)17-11-8-13(9-11)4-1-5-13/h10-11H,1-9H2,(H,17,18).
What are the key properties of 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide?
4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 142516545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).