N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine

C10H19F2NO — CID 115406058

IUPACN-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(NCC(F)F)CCO1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-5-8(3-4-14-9)13-6-10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyXIZDBTOQFJJFAI-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.04
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine

N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine (PubChem CID 115406058) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
PubChem CID115406058
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(NCC(F)F)CCO1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-5-8(3-4-14-9)13-6-10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyXIZDBTOQFJJFAI-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 121523407
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
3-(Difluoromethoxymethyl)-2-propan-2-ylpiperidine
CID 170771809
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748953
N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748971
N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748982

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine (CID 115406058) is N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(NCC(F)F)CCO1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The InChIKey is XIZDBTOQFJJFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-5-8(3-4-14-9)13-6-10(11)12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine has a molecular weight of 207.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 115406058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).