4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

C14H23F2NO3 — CID 114951443

IUPAC4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO3/c1-17(10-13(19)6-8-20-9-7-13)12(18)11-2-4-14(15,16)5-3-11/h11,19H,2-10H2,1H3
InChIKeyPAHBESFCELESRR-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.81
Rot. Bonds3

About 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 114951443) has the molecular formula C14H23F2NO3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID114951443
Molecular FormulaC14H23F2NO3
Molecular Weight291.34 g/mol
Exact Mass291.16
IUPAC Name4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO3/c1-17(10-13(19)6-8-20-9-7-13)12(18)11-2-4-14(15,16)5-3-11/h11,19H,2-10H2,1H3
InChIKeyPAHBESFCELESRR-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 114951443) is 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is CN(CC1(O)CCOCC1)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is PAHBESFCELESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO3/c1-17(10-13(19)6-8-20-9-7-13)12(18)11-2-4-14(15,16)5-3-11/h11,19H,2-10H2,1H3.
What are the key properties of 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).