2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol

C9H18FNO — CID 126977372

IUPAC2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol
SMILESNCC1(CCF)CCCCC1O
InChIInChI=1S/C9H18FNO/c10-6-5-9(7-11)4-2-1-3-8(9)12/h8,12H,1-7,11H2
InChIKeyTVOOTOGUINIBTO-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.23
Rot. Bonds3

About 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol

2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol (PubChem CID 126977372) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol
PubChem CID126977372
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol
SMILESNCC1(CCF)CCCCC1O
InChIInChI=1S/C9H18FNO/c10-6-5-9(7-11)4-2-1-3-8(9)12/h8,12H,1-7,11H2
InChIKeyTVOOTOGUINIBTO-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol (CID 126977372) is 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol is NCC1(CCF)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol?
The InChIKey is TVOOTOGUINIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-6-5-9(7-11)4-2-1-3-8(9)12/h8,12H,1-7,11H2.
What are the key properties of 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol?
2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-fluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 126977372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).