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

C14H23F2NO2 — CID 103859898

IUPAC4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO2/c15-14(16)6-4-11(5-7-14)13(19)17-9-10-2-1-3-12(18)8-10/h10-12,18H,1-9H2,(H,17,19)
InChIKeyCMBQHICWXAJUKO-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.48
Rot. Bonds3

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

4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (PubChem CID 103859898) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
PubChem CID103859898
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO2/c15-14(16)6-4-11(5-7-14)13(19)17-9-10-2-1-3-12(18)8-10/h10-12,18H,1-9H2,(H,17,19)
InChIKeyCMBQHICWXAJUKO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide (CID 103859898) is 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is O=C(NCC1CCCC(O)C1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is CMBQHICWXAJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c15-14(16)6-4-11(5-7-14)13(19)17-9-10-2-1-3-12(18)8-10/h10-12,18H,1-9H2,(H,17,19).
What are the key properties of 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103859898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).