3-(3,3,3-trifluoropropoxy)heptan-4-amine

C10H20F3NO — CID 82956628

IUPAC3-(3,3,3-trifluoropropoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-8(14)9(4-2)15-7-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyBBBOACHLFBRXRQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds7

About 3-(3,3,3-trifluoropropoxy)heptan-4-amine

3-(3,3,3-trifluoropropoxy)heptan-4-amine (PubChem CID 82956628) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)heptan-4-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)heptan-4-amine
PubChem CID82956628
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-(3,3,3-trifluoropropoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-8(14)9(4-2)15-7-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyBBBOACHLFBRXRQ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)heptan-4-amine?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)heptan-4-amine (CID 82956628) is 3-(3,3,3-trifluoropropoxy)heptan-4-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)heptan-4-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)heptan-4-amine is CCCC(N)C(CC)OCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)heptan-4-amine?
The InChIKey is BBBOACHLFBRXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-5-8(14)9(4-2)15-7-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3-(3,3,3-trifluoropropoxy)heptan-4-amine?
3-(3,3,3-trifluoropropoxy)heptan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)heptan-4-amine is sourced from PubChem (CID 82956628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).