N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine

C10H17F2NO — CID 164659794

IUPACN-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NCC1CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2)6-14-5-8(9)13-4-7-3-10(7,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyABWZXGMQRBJYCI-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.66
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine

N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine (PubChem CID 164659794) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine
PubChem CID164659794
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NCC1CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2)6-14-5-8(9)13-4-7-3-10(7,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyABWZXGMQRBJYCI-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine (CID 164659794) is N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine is CC1(C)COCC1NCC1CC1(F)F.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine?
The InChIKey is ABWZXGMQRBJYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(2)6-14-5-8(9)13-4-7-3-10(7,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine?
N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine has a molecular weight of 205.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-4,4-dimethyloxolan-3-amine is sourced from PubChem (CID 164659794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).