4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

C12H20F2N2O2 — CID 114760533

IUPAC4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O2/c13-12(14)3-1-9(2-4-12)10(17)16-8-11(18)5-6-15-7-11/h9,15,18H,1-8H2,(H,16,17)
InChIKeyAQUSQDIHTMVYKZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.65
Rot. Bonds3

About 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 114760533) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID114760533
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O2/c13-12(14)3-1-9(2-4-12)10(17)16-8-11(18)5-6-15-7-11/h9,15,18H,1-8H2,(H,16,17)
InChIKeyAQUSQDIHTMVYKZ-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002113
N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962878
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79019740
N-(2-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039175
N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039207
N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929519
N-(2-hydroxy-2,4-dimethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929520
N-(2-hydroxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932641
4,4-difluoro-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932642
N-(2-hydroxy-2-methylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932663
4,4-difluoro-N-(2-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 81932664
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932683

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (CID 114760533) is 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is O=C(NCC1(O)CCNC1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is AQUSQDIHTMVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c13-12(14)3-1-9(2-4-12)10(17)16-8-11(18)5-6-15-7-11/h9,15,18H,1-8H2,(H,16,17).
What are the key properties of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114760533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).