(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine

C7H13F3N2 — CID 130291194

IUPAC(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
SMILESC=C(NCC(F)(F)F)[C@H](N)CC
InChIInChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3/t6-/m1/s1
InChIKeyDLCSBCWXVPPCSR-ZCFIWIBFSA-N
MW182.19 g/mol
LogP1.39
Rot. Bonds4

About (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine

(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine (PubChem CID 130291194) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
PubChem CID130291194
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
SMILESC=C(NCC(F)(F)F)[C@H](N)CC
InChIInChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3/t6-/m1/s1
InChIKeyDLCSBCWXVPPCSR-ZCFIWIBFSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The IUPAC name of (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine (CID 130291194) is (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine.
What is the SMILES notation for (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The canonical SMILES for (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine is C=C(NCC(F)(F)F)[C@H](N)CC.
What is the InChIKey of (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The InChIKey is DLCSBCWXVPPCSR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine is sourced from PubChem (CID 130291194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).