1-ethoxy-1,1-difluoropentan-3-amine

C7H15F2NO — CID 170384112

IUPAC1-ethoxy-1,1-difluoropentan-3-amine
SMILESCCOC(F)(F)CC(N)CC
InChIInChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3
InChIKeyUBRUYZVCZBBIAL-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.74
Rot. Bonds5

About 1-ethoxy-1,1-difluoropentan-3-amine

1-ethoxy-1,1-difluoropentan-3-amine (PubChem CID 170384112) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluoropentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-1,1-difluoropentan-3-amine
PubChem CID170384112
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1-ethoxy-1,1-difluoropentan-3-amine
SMILESCCOC(F)(F)CC(N)CC
InChIInChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3
InChIKeyUBRUYZVCZBBIAL-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethoxy)butan-2-amine
CID 62039747
3,3-Difluoro-4-methoxybutan-2-amine
CID 57169440
3-(4,4,4-Trifluorobutoxy)propan-1-amine
CID 58684367
1,1,1-Trifluoro-4-methoxybutan-2-amine
CID 64985357
3-Fluorotetrahydro-2H-pyran-4-amine
CID 66628594
(3S,4S)-3-fluorotetrahydro-2H-pyran-4-amine
CID 68295107
(3R,4R)-3-Fluorotetrahydro-2H-pyran-4-amine
CID 86336062
(3S,4R)-3-Fluorotetrahydro-2H-pyran-4-amine
CID 86336064
trans-3-Fluorooxan-4-amine
CID 86336066
2-Fluorooxan-4-amine
CID 89761828
4-(Trifluoromethoxy)butan-2-amine
CID 121237478
1-Ethoxy-3,3-difluorobutan-2-amine
CID 131094307

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1-difluoropentan-3-amine?
The IUPAC name of 1-ethoxy-1,1-difluoropentan-3-amine (CID 170384112) is 1-ethoxy-1,1-difluoropentan-3-amine.
What is the SMILES notation for 1-ethoxy-1,1-difluoropentan-3-amine?
The canonical SMILES for 1-ethoxy-1,1-difluoropentan-3-amine is CCOC(F)(F)CC(N)CC.
What is the InChIKey of 1-ethoxy-1,1-difluoropentan-3-amine?
The InChIKey is UBRUYZVCZBBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-ethoxy-1,1-difluoropentan-3-amine?
1-ethoxy-1,1-difluoropentan-3-amine has a molecular weight of 167.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1-difluoropentan-3-amine is sourced from PubChem (CID 170384112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).