4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol

C8H16FNO — CID 168857216

IUPAC4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
SMILESNCC1CCC(O)(CF)CC1
InChIInChI=1S/C8H16FNO/c9-6-8(11)3-1-7(5-10)2-4-8/h7,11H,1-6,10H2
InChIKeyOLLAUMVOWCLAQV-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.84
Rot. Bonds2

About 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol

4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol (PubChem CID 168857216) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
PubChem CID168857216
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
SMILESNCC1CCC(O)(CF)CC1
InChIInChI=1S/C8H16FNO/c9-6-8(11)3-1-7(5-10)2-4-8/h7,11H,1-6,10H2
InChIKeyOLLAUMVOWCLAQV-UHFFFAOYSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol (CID 168857216) is 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol is NCC1CCC(O)(CF)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The InChIKey is OLLAUMVOWCLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-6-8(11)3-1-7(5-10)2-4-8/h7,11H,1-6,10H2.
What are the key properties of 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 168857216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).