(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine

C16H28F3NO — CID 166655110

IUPAC(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine
SMILESC=CCC1OC(CC)C(C(C)C(CC)C(F)(F)F)C[C@H]1N
InChIInChI=1S/C16H28F3NO/c1-5-8-15-13(20)9-11(14(7-3)21-15)10(4)12(6-2)16(17,18)19/h5,10-15H,1,6-9,20H2,2-4H3/t10?,11?,12?,13-,14?,15?/m1/s1
InChIKeySRPNVYNIVSHPTN-DNKVGAQPSA-N
MW307.40 g/mol
LogP4.30
Rot. Bonds6

About (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine

(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine (PubChem CID 166655110) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine.

Molecular Properties

Compound Name(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine
PubChem CID166655110
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine
SMILESC=CCC1OC(CC)C(C(C)C(CC)C(F)(F)F)C[C@H]1N
InChIInChI=1S/C16H28F3NO/c1-5-8-15-13(20)9-11(14(7-3)21-15)10(4)12(6-2)16(17,18)19/h5,10-15H,1,6-9,20H2,2-4H3/t10?,11?,12?,13-,14?,15?/m1/s1
InChIKeySRPNVYNIVSHPTN-DNKVGAQPSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine?
The IUPAC name of (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine (CID 166655110) is (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine.
What is the SMILES notation for (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine?
The canonical SMILES for (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine is C=CCC1OC(CC)C(C(C)C(CC)C(F)(F)F)C[C@H]1N.
What is the InChIKey of (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine?
The InChIKey is SRPNVYNIVSHPTN-DNKVGAQPSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-5-8-15-13(20)9-11(14(7-3)21-15)10(4)12(6-2)16(17,18)19/h5,10-15H,1,6-9,20H2,2-4H3/t10?,11?,12?,13-,14?,15?/m1/s1.
What are the key properties of (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine?
(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine has a molecular weight of 307.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine is sourced from PubChem (CID 166655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).