3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine

C10H17F2NO — CID 164659577

IUPAC3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CC1(C)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-7-9(13,3-4-14-7)5-8(2)6-10(8,11)12/h7H,3-6,13H2,1-2H3
InChIKeyMTGSIWCWMDNFQG-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.93
Rot. Bonds2

About 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine

3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine (PubChem CID 164659577) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine
PubChem CID164659577
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CC1(C)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-7-9(13,3-4-14-7)5-8(2)6-10(8,11)12/h7H,3-6,13H2,1-2H3
InChIKeyMTGSIWCWMDNFQG-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopropyl-3-methyloxolan-3-amine
CID 75480709
2-Cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 104510321
2-Cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine
CID 106706463
2-Cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]oxolan-3-amine
CID 114225374
2-Cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
3-[(2,2-Difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine
CID 164652798
2-Cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
3-[(2,2-Difluorocyclopropyl)methyl]oxolan-3-amine
CID 165987504
3-[(2,2-Difluorocyclopropyl)methyl]oxolan-3-amine hydrochloride
CID 165988026
(2R,3S)-2-cyclopropyl-3-methyloxolan-3-amine
CID 97297837
(2R,3R)-2-cyclopropyl-3-methyloxolan-3-amine
CID 97297838
(2S,3S)-2-cyclopropyl-3-methyloxolan-3-amine
CID 97297839

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine (CID 164659577) is 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine is CC1OCCC1(N)CC1(C)CC1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is MTGSIWCWMDNFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7-9(13,3-4-14-7)5-8(2)6-10(8,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine?
3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 205.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 164659577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).