1-(aminomethyl)-4,4-difluorocyclohexan-1-ol

C7H13F2NO — CID 90000451

IUPAC1-(aminomethyl)-4,4-difluorocyclohexan-1-ol
SMILESNCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-6(11,5-10)2-4-7/h11H,1-5,10H2
InChIKeyIDKMZTVFJQPUIC-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.89
Rot. Bonds1

About 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol (PubChem CID 90000451) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluorocyclohexan-1-ol
PubChem CID90000451
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1-(aminomethyl)-4,4-difluorocyclohexan-1-ol
SMILESNCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-6(11,5-10)2-4-7/h11H,1-5,10H2
InChIKeyIDKMZTVFJQPUIC-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol (CID 90000451) is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol is NCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol?
The InChIKey is IDKMZTVFJQPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)3-1-6(11,5-10)2-4-7/h11H,1-5,10H2.
What are the key properties of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol?
1-(aminomethyl)-4,4-difluorocyclohexan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 90000451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).