5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine

C8H16F3NO — CID 82534577

IUPAC5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine
SMILESCOCCC(CCN)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-13-5-3-7(2-4-12)6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyKLSYQSHHTPITHJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds6

About 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine

5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine (PubChem CID 82534577) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine
PubChem CID82534577
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine
SMILESCOCCC(CCN)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-13-5-3-7(2-4-12)6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyKLSYQSHHTPITHJ-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentan-1-amine
CID 123300960
3,3-Difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 135174643
3,3-Difluoro-5-methoxypentan-1-amine
CID 170976389
3-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490660
3-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490865
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
3-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62504677
2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505186
2-[2-(2,2,2-Trifluoroethoxy)ethyl]pentan-1-amine
CID 62505560
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine (CID 82534577) is 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine is COCCC(CCN)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine?
The InChIKey is KLSYQSHHTPITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-13-5-3-7(2-4-12)6-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine?
5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 82534577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).