1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol

C9H17F2NO — CID 65108633

IUPAC1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-12-7-9(13)4-2-1-3-5-9/h8,12-13H,1-7H2
InChIKeyQVDWKVVGHSNOGG-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.54
Rot. Bonds4

About 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol

1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol (PubChem CID 65108633) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
PubChem CID65108633
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-12-7-9(13)4-2-1-3-5-9/h8,12-13H,1-7H2
InChIKeyQVDWKVVGHSNOGG-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol (CID 65108633) is 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol is OC1(CNCC(F)F)CCCCC1.
What is the InChIKey of 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The InChIKey is QVDWKVVGHSNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-8(11)6-12-7-9(13)4-2-1-3-5-9/h8,12-13H,1-7H2.
What are the key properties of 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).