4-(2,2-difluoropropylamino)cyclohexan-1-ol

C9H17F2NO — CID 130636934

IUPAC4-(2,2-difluoropropylamino)cyclohexan-1-ol
SMILESCC(F)(F)CNC1CCC(O)CC1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)6-12-7-2-4-8(13)5-3-7/h7-8,12-13H,2-6H2,1H3
InChIKeyBQGCALOEKPKLLI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.53
Rot. Bonds3

About 4-(2,2-difluoropropylamino)cyclohexan-1-ol

4-(2,2-difluoropropylamino)cyclohexan-1-ol (PubChem CID 130636934) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(2,2-difluoropropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoropropylamino)cyclohexan-1-ol
PubChem CID130636934
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(2,2-difluoropropylamino)cyclohexan-1-ol
SMILESCC(F)(F)CNC1CCC(O)CC1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)6-12-7-2-4-8(13)5-3-7/h7-8,12-13H,2-6H2,1H3
InChIKeyBQGCALOEKPKLLI-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2,2-difluoropropylamino)cyclohexan-1-ol (CID 130636934) is 4-(2,2-difluoropropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,2-difluoropropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2,2-difluoropropylamino)cyclohexan-1-ol is CC(F)(F)CNC1CCC(O)CC1.
What is the InChIKey of 4-(2,2-difluoropropylamino)cyclohexan-1-ol?
The InChIKey is BQGCALOEKPKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)6-12-7-2-4-8(13)5-3-7/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 4-(2,2-difluoropropylamino)cyclohexan-1-ol?
4-(2,2-difluoropropylamino)cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylamino)cyclohexan-1-ol is sourced from PubChem (CID 130636934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).