2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine

C14H23F2NO — CID 114225374

IUPAC2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine
SMILESNC1(CC2CCCC(F)(F)C2)CCOC1C1CC1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(9-14)8-13(17)6-7-18-12(13)11-3-4-11/h10-12H,1-9,17H2
InChIKeyIXOIQFVXMUQXFC-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.10
Rot. Bonds3

About 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine

2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine (PubChem CID 114225374) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine
PubChem CID114225374
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine
SMILESNC1(CC2CCCC(F)(F)C2)CCOC1C1CC1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(9-14)8-13(17)6-7-18-12(13)11-3-4-11/h10-12H,1-9,17H2
InChIKeyIXOIQFVXMUQXFC-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine (CID 114225374) is 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine is NC1(CC2CCCC(F)(F)C2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine?
The InChIKey is IXOIQFVXMUQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(9-14)8-13(17)6-7-18-12(13)11-3-4-11/h10-12H,1-9,17H2.
What are the key properties of 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine?
2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine has a molecular weight of 259.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine is sourced from PubChem (CID 114225374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).