1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol

C8H16FNO — CID 121427173

IUPAC1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol
SMILESCC1(F)CCC(O)(CN)CC1
InChIInChI=1S/C8H16FNO/c1-7(9)2-4-8(11,6-10)5-3-7/h11H,2-6,10H2,1H3
InChIKeyOTSDXMLSSHSDOD-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.98
Rot. Bonds1

About 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol

1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol (PubChem CID 121427173) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol
PubChem CID121427173
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol
SMILESCC1(F)CCC(O)(CN)CC1
InChIInChI=1S/C8H16FNO/c1-7(9)2-4-8(11,6-10)5-3-7/h11H,2-6,10H2,1H3
InChIKeyOTSDXMLSSHSDOD-UHFFFAOYSA-N
XLogP0.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanol, 1-(aminomethyl)-, hydrochloride (1:1)
CID 3084332
1-(Aminomethyl)-4-methylcyclohexan-1-ol
CID 21302973
1-(Aminomethyl)-4,4-dimethylcyclohexan-1-ol
CID 59845710
1-Aminomethyl-4-trifluoromethyl-cyclohexanol
CID 64754909
1-(Aminomethyl)-4,4-difluorocyclohexan-1-ol
CID 90000451
1-(Aminomethyl)-3,3-difluorocyclohexanol
CID 118555961
(1R)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
CID 118555979
(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
CID 118556125
4-Alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
CID 163867370
4-(Aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
CID 168857216
CID 173731595
CID 173731595
1-(Aminomethyl)cyclohexan-1-ol;hydron;chloride
CID 68502238

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol (CID 121427173) is 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol is CC1(F)CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol?
The InChIKey is OTSDXMLSSHSDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(9)2-4-8(11,6-10)5-3-7/h11H,2-6,10H2,1H3.
What are the key properties of 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol?
1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol is sourced from PubChem (CID 121427173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).