1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine

C9H19F2NO — CID 103148969

IUPAC1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-9(2,3)7(12)4-5-13-6-8(10)11/h7-8H,4-6,12H2,1-3H3
InChIKeyKLOBGJDBQWYKMI-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.03
Rot. Bonds5

About 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine

1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine (PubChem CID 103148969) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine
PubChem CID103148969
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-9(2,3)7(12)4-5-13-6-8(10)11/h7-8H,4-6,12H2,1-3H3
InChIKeyKLOBGJDBQWYKMI-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-4,4-dimethylpentan-3-amine
CID 62394673
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 16787110
2,2-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490621
4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62602390
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62602777
2,2-Dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350083
2,2-Dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66359801
1-(2,2-Difluoroethoxy)-3,3-dimethylbutan-2-amine
CID 82004337
3-(2,2-Difluoroethoxy)-2,2-dimethylcyclobutan-1-amine
CID 82009691
3,3-Dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82787712
4,4-Dimethyl-3-(4,4,4-trifluorobutoxy)pentan-2-amine
CID 82788336

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine (CID 103148969) is 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine?
The InChIKey is KLOBGJDBQWYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-9(2,3)7(12)4-5-13-6-8(10)11/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine?
1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine has a molecular weight of 195.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 103148969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).