4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine

C10H18FNO — CID 112562416

IUPAC4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC2)CC1
InChIInChI=1S/C10H18FNO/c11-10(8-3-6-13-7-8)4-1-9(12)2-5-10/h8-9H,1-7,12H2
InChIKeyXMVRAXFGXOWJNA-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.63
Rot. Bonds1

About 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine

4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine (PubChem CID 112562416) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine
PubChem CID112562416
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC2)CC1
InChIInChI=1S/C10H18FNO/c11-10(8-3-6-13-7-8)4-1-9(12)2-5-10/h8-9H,1-7,12H2
InChIKeyXMVRAXFGXOWJNA-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine (CID 112562416) is 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine is NC1CCC(F)(C2CCOC2)CC1.
What is the InChIKey of 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine?
The InChIKey is XMVRAXFGXOWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(8-3-6-13-7-8)4-1-9(12)2-5-10/h8-9H,1-7,12H2.
What are the key properties of 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine?
4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(oxolan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 112562416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).