6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine

C12H21F2NO — CID 70843048

IUPAC6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
SMILESNC1CCC(C2CCC(C(F)F)CC2)OC1
InChIInChI=1S/C12H21F2NO/c13-12(14)9-3-1-8(2-4-9)11-6-5-10(15)7-16-11/h8-12H,1-7,15H2
InChIKeyKJZGCQJAEZVLQZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.56
Rot. Bonds2

About 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine

6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine (PubChem CID 70843048) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine.

Molecular Properties

Compound Name6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
PubChem CID70843048
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
SMILESNC1CCC(C2CCC(C(F)F)CC2)OC1
InChIInChI=1S/C12H21F2NO/c13-12(14)9-3-1-8(2-4-9)11-6-5-10(15)7-16-11/h8-12H,1-7,15H2
InChIKeyKJZGCQJAEZVLQZ-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine?
The IUPAC name of 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine (CID 70843048) is 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine.
What is the SMILES notation for 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine?
The canonical SMILES for 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine is NC1CCC(C2CCC(C(F)F)CC2)OC1.
What is the InChIKey of 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine?
The InChIKey is KJZGCQJAEZVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)9-3-1-8(2-4-9)11-6-5-10(15)7-16-11/h8-12H,1-7,15H2.
What are the key properties of 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine?
6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine has a molecular weight of 233.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)cyclohexyl]oxan-3-amine is sourced from PubChem (CID 70843048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).