3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol

C12H21F2NO — CID 170209590

IUPAC3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-4-9(5-7-12)15-10-2-1-3-11(16)8-10/h9-11,15-16H,1-8H2
InChIKeyPEYDPFWKSMMXOP-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.46
Rot. Bonds2

About 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol

3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol (PubChem CID 170209590) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol
PubChem CID170209590
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-4-9(5-7-12)15-10-2-1-3-11(16)8-10/h9-11,15-16H,1-8H2
InChIKeyPEYDPFWKSMMXOP-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol (CID 170209590) is 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol is OC1CCCC(NC2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is PEYDPFWKSMMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)6-4-9(5-7-12)15-10-2-1-3-11(16)8-10/h9-11,15-16H,1-8H2.
What are the key properties of 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol?
3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 233.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 170209590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).