2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol

C10H19F2NO2 — CID 175955488

IUPAC2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCCCC1N
InChIInChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)5-3-2-4-8(9)13/h8,14H,2-7,13H2,1H3
InChIKeyRNLYDYOKDIFALH-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol

2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol (PubChem CID 175955488) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
PubChem CID175955488
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCCCC1N
InChIInChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)5-3-2-4-8(9)13/h8,14H,2-7,13H2,1H3
InChIKeyRNLYDYOKDIFALH-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The IUPAC name of 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol (CID 175955488) is 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The canonical SMILES for 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol is COCCC(F)(F)C1(O)CCCCC1N.
What is the InChIKey of 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The InChIKey is RNLYDYOKDIFALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)5-3-2-4-8(9)13/h8,14H,2-7,13H2,1H3.
What are the key properties of 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 175955488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).