(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide

C10H18F2N2O2 — CID 164604399

IUPAC(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide
SMILESNC(=O)[C@@H](N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12)3-1-7(2-4-10)5-16-6-8(13)9(14)15/h7-8H,1-6,13H2,(H2,14,15)/t8-/m0/s1
InChIKeyROCLFHBXTLTNGZ-QMMMGPOBSA-N
MW236.26 g/mol
LogP0.64
Rot. Bonds5

About (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide

(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide (PubChem CID 164604399) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide
PubChem CID164604399
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide
SMILESNC(=O)[C@@H](N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12)3-1-7(2-4-10)5-16-6-8(13)9(14)15/h7-8H,1-6,13H2,(H2,14,15)/t8-/m0/s1
InChIKeyROCLFHBXTLTNGZ-QMMMGPOBSA-N
XLogP0.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide?
The IUPAC name of (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide (CID 164604399) is (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide?
The canonical SMILES for (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide is NC(=O)[C@@H](N)COCC1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide?
The InChIKey is ROCLFHBXTLTNGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12)3-1-7(2-4-10)5-16-6-8(13)9(14)15/h7-8H,1-6,13H2,(H2,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide?
(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide has a molecular weight of 236.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide is sourced from PubChem (CID 164604399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).