N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine

C9H15F2NO — CID 130635026

IUPACN-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1(C(F)F)CC1
InChIInChI=1S/C9H15F2NO/c1-6-7(2-5-13-6)12-9(3-4-9)8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyNKBYOZIZERTUJP-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine

N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine (PubChem CID 130635026) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine
PubChem CID130635026
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1(C(F)F)CC1
InChIInChI=1S/C9H15F2NO/c1-6-7(2-5-13-6)12-9(3-4-9)8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyNKBYOZIZERTUJP-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426468
1-cyclopropyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276529
N-[1-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276960
3-(difluoromethyl)-2-methyl-N-propyloxolan-3-amine
CID 82717350
N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
CID 82717874
N-ethyl-2-methyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718035
2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718036
3-(difluoromethyl)-N,2-dimethyloxolan-3-amine
CID 82718199
3-(difluoromethyl)-N-ethyl-2-methyloxolan-3-amine
CID 82718200
N-(2,2-difluoroethyl)-2-methyloxolan-3-amine
CID 82719371
2-methyl-N-(5,5,5-trifluoropentyl)oxolan-3-amine
CID 82719372
2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 82722832

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine (CID 130635026) is N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine is CC1OCCC1NC1(C(F)F)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine?
The InChIKey is NKBYOZIZERTUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6-7(2-5-13-6)12-9(3-4-9)8(10)11/h6-8,12H,2-5H2,1H3.
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine?
N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine has a molecular weight of 191.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 130635026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).