2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine

C9H19F2NO — CID 165466400

IUPAC2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
SMILESCC(C)CC(C)OCC(F)(F)CN
InChIInChI=1S/C9H19F2NO/c1-7(2)4-8(3)13-6-9(10,11)5-12/h7-8H,4-6,12H2,1-3H3
InChIKeyWDHMVVQPMOAQDD-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.03
Rot. Bonds6

About 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine

2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine (PubChem CID 165466400) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
PubChem CID165466400
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
SMILESCC(C)CC(C)OCC(F)(F)CN
InChIInChI=1S/C9H19F2NO/c1-7(2)4-8(3)13-6-9(10,11)5-12/h7-8H,4-6,12H2,1-3H3
InChIKeyWDHMVVQPMOAQDD-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethoxypropan-2-yloxy)-2,2-difluoropropan-1-amine
CID 165466401
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
CID 79622869
4-(4-methylpentan-2-yloxy)but-2-en-1-amine
CID 77110568
3-(4-methylpentan-2-yloxy)butan-1-amine
CID 114995279
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
2,2-difluoropropane-1,3-diamine;hydrochloride
CID 19902651
2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
CID 112566443
1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
CID 116696038
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119995373

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine (CID 165466400) is 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine is CC(C)CC(C)OCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine?
The InChIKey is WDHMVVQPMOAQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2)4-8(3)13-6-9(10,11)5-12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine?
2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine is sourced from PubChem (CID 165466400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).