3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine

C10H18F3NO — CID 66322799

IUPAC3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(OCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(14)9(10(11,12)13)15-6-8-4-2-3-5-8/h7-9H,2-6,14H2,1H3
InChIKeyNTTSPQMEYNBIOD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine

3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine (PubChem CID 66322799) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
PubChem CID66322799
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(OCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(14)9(10(11,12)13)15-6-8-4-2-3-5-8/h7-9H,2-6,14H2,1H3
InChIKeyNTTSPQMEYNBIOD-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine (CID 66322799) is 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine is CC(N)C(OCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine?
The InChIKey is NTTSPQMEYNBIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(14)9(10(11,12)13)15-6-8-4-2-3-5-8/h7-9H,2-6,14H2,1H3.
What are the key properties of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine?
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 66322799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).