N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide

C11H20F2N2O2 — CID 114154777

IUPACN-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCOCC(CN)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-17-7-9(6-14)15-10(16)8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyALZMIDLSDDBCOQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.90
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 114154777) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID114154777
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCOCC(CN)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-17-7-9(6-14)15-10(16)8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyALZMIDLSDDBCOQ-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 114154777) is N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide is COCC(CN)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is ALZMIDLSDDBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-17-7-9(6-14)15-10(16)8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 114154777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).