4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine

C10H20F3NO — CID 103283123

IUPAC4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine
SMILESCCCC(C)COC(C(C)N)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-5-7(2)6-15-9(8(3)14)10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyLPOKCLJLDOEZLV-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds6

About 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine

4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine (PubChem CID 103283123) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine
PubChem CID103283123
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine
SMILESCCCC(C)COC(C(C)N)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-5-7(2)6-15-9(8(3)14)10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyLPOKCLJLDOEZLV-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
CID 177282034
3,3,3-Trifluoro-2-(3-methylbutoxy)propan-1-amine
CID 43752917
3,3,3-Trifluoro-2-(4-methylpentan-2-yloxy)propan-1-amine
CID 43752931
2-(2-Ethylhexoxy)-3,3,3-trifluoropropan-1-amine
CID 43752959
3,3,3-Trifluoro-2-(4-methylpentoxy)propan-1-amine
CID 43752960
3,3,3-Trifluoro-2-pentoxypropan-1-amine
CID 43752988
4,4,4-Trifluoro-3-(4-methylpentoxy)butan-1-amine
CID 43753334
3-(2,2,2-Trifluoroethoxy)heptan-4-amine
CID 45283547
5,5-Dimethyl-4-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61634119
4,4-Dimethyl-3-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61634120
4,4-Dimethyl-3-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 61634354
1,1,1-Trifluoro-2-(oxolan-3-ylmethoxy)pentan-3-amine
CID 61647685

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine (CID 103283123) is 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine is CCCC(C)COC(C(C)N)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine?
The InChIKey is LPOKCLJLDOEZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-5-7(2)6-15-9(8(3)14)10(11,12)13/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine?
4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine is sourced from PubChem (CID 103283123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).